9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene

C255H160N16 — CID 161466513

IUPAC9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc5nc(n4)-n4c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(cc64)C(c4ccc6c(c4)c4ccccc4n6-c4ccccc4)(c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7n(c6c4)-c4cccc-5c4)c3)cc2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C131H82N8.C124H78N8/c1-7-29-83(30-8-1)102-62-53-86(73-111(102)84-31-9-2-10-32-84)85-33-27-34-91(71-85)116-82-117-92-35-28-44-101(72-92)138-126-76-89(87-56-67-122-112(74-87)103-45-19-23-49-118(103)134(122)97-36-11-3-12-37-97)54-63-107(126)109-65-58-95(80-128(109)138)131(93-60-69-124-114(78-93)105-47-21-25-51-120(105)136(124)99-40-15-5-16-41-99,94-61-70-125-115(79-94)106-48-22-26-52-121(106)137(125)100-42-17-6-18-43-100)96-59-66-110-108-64-55-90(77-127(108)139(129(110)81-96)130(132-116)133-117)88-57-68-123-113(75-88)104-46-20-24-50-119(104)135(123)98-38-13-4-14-39-98;1-6-27-79(28-7-1)80-29-24-30-81(67-80)82-31-25-32-91(68-82)110-78-111(126-124(125-110)132-122-76-89(85-57-65-118-108(72-85)100-45-18-22-49-114(100)129(118)95-38-12-4-13-39-95)53-61-104(122)105-62-54-90(77-123(105)132)86-58-66-119-109(73-86)101-46-19-23-50-115(101)130(119)96-40-14-5-15-41-96)92-33-26-42-97(69-92)131-120-74-87(83-55-63-116-106(70-83)98-43-16-20-47-112(98)127(116)93-34-8-2-9-35-93)51-59-102(120)103-60-52-88(75-121(103)131)84-56-64-117-107(71-84)99-44-17-21-48-113(99)128(117)94-36-10-3-11-37-94/h1-82H;1-78H
InChIKeyWCMWWYRSIDYFIQ-UHFFFAOYSA-N
MW3448.20 g/mol
LogP65.82
Rot. Bonds26

About 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene

9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene (PubChem CID 161466513) has the molecular formula C255H160N16 and a molecular weight of 3448.20 g/mol. Its IUPAC name is 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene.

Molecular Properties

Compound Name9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene
PubChem CID161466513
Molecular FormulaC255H160N16
Molecular Weight3448.20 g/mol
Exact Mass3445.30
IUPAC Name9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc5nc(n4)-n4c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(cc64)C(c4ccc6c(c4)c4ccccc4n6-c4ccccc4)(c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7n(c6c4)-c4cccc-5c4)c3)cc2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C131H82N8.C124H78N8/c1-7-29-83(30-8-1)102-62-53-86(73-111(102)84-31-9-2-10-32-84)85-33-27-34-91(71-85)116-82-117-92-35-28-44-101(72-92)138-126-76-89(87-56-67-122-112(74-87)103-45-19-23-49-118(103)134(122)97-36-11-3-12-37-97)54-63-107(126)109-65-58-95(80-128(109)138)131(93-60-69-124-114(78-93)105-47-21-25-51-120(105)136(124)99-40-15-5-16-41-99,94-61-70-125-115(79-94)106-48-22-26-52-121(106)137(125)100-42-17-6-18-43-100)96-59-66-110-108-64-55-90(77-127(108)139(129(110)81-96)130(132-116)133-117)88-57-68-123-113(75-88)104-46-20-24-50-119(104)135(123)98-38-13-4-14-39-98;1-6-27-79(28-7-1)80-29-24-30-81(67-80)82-31-25-32-91(68-82)110-78-111(126-124(125-110)132-122-76-89(85-57-65-118-108(72-85)100-45-18-22-49-114(100)129(118)95-38-12-4-13-39-95)53-61-104(122)105-62-54-90(77-123(105)132)86-58-66-119-109(73-86)101-46-19-23-50-115(101)130(119)96-40-14-5-15-41-96)92-33-26-42-97(69-92)131-120-74-87(83-55-63-116-106(70-83)98-43-16-20-47-112(98)127(116)93-34-8-2-9-35-93)51-59-102(120)103-60-52-88(75-121(103)131)84-56-64-117-107(71-84)99-44-17-21-48-113(99)128(117)94-36-10-3-11-37-94/h1-82H;1-78H
InChIKeyWCMWWYRSIDYFIQ-UHFFFAOYSA-N
XLogP65.82
TPSA110.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003448.20
LogP ≤ 565.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene with MolForge

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Related Compounds

9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 159652525
3-[9-[4-[3-(3,4-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134236674
3-[9-[4-[2,5-bis(4-phenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134237067
2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 159305236
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
CID 134237041
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene?
The IUPAC name of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene (CID 161466513) is 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene.
What is the SMILES notation for 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene?
The canonical SMILES for 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene is c1ccc(-c2ccc(-c3cccc(-c4cc5nc(n4)-n4c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(cc64)C(c4ccc6c(c4)c4ccccc4n6-c4ccccc4)(c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7n(c6c4)-c4cccc-5c4)c3)cc2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1.
What is the InChIKey of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene?
The InChIKey is WCMWWYRSIDYFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H82N8.C124H78N8/c1-7-29-83(30-8-1)102-62-53-86(73-111(102)84-31-9-2-10-32-84)85-33-27-34-91(71-85)116-82-117-92-35-28-44-101(72-92)138-126-76-89(87-56-67-122-112(74-87)103-45-19-23-49-118(103)134(122)97-36-11-3-12-37-97)54-63-107(126)109-65-58-95(80-128(109)138)131(93-60-69-124-114(78-93)105-47-21-25-51-120(105)136(124)99-40-15-5-16-41-99,94-61-70-125-115(79-94)106-48-22-26-52-121(106)137(125)100-42-17-6-18-43-100)96-59-66-110-108-64-55-90(77-127(108)139(129(110)81-96)130(132-116)133-117)88-57-68-123-113(75-88)104-46-20-24-50-119(104)135(123)98-38-13-4-14-39-98;1-6-27-79(28-7-1)80-29-24-30-81(67-80)82-31-25-32-91(68-82)110-78-111(126-124(125-110)132-122-76-89(85-57-65-118-108(72-85)100-45-18-22-49-114(100)129(118)95-38-12-4-13-39-95)53-61-104(122)105-62-54-90(77-123(105)132)86-58-66-119-109(73-86)101-46-19-23-50-115(101)130(119)96-40-14-5-15-41-96)92-33-26-42-97(69-92)131-120-74-87(83-55-63-116-106(70-83)98-43-16-20-47-112(98)127(116)93-34-8-2-9-35-93)51-59-102(120)103-60-52-88(75-121(103)131)84-56-64-117-107(71-84)99-44-17-21-48-113(99)128(117)94-36-10-3-11-37-94/h1-82H;1-78H.
What are the key properties of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene?
9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene has a molecular weight of 3448.20 g/mol, XLogP of 65.82, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(3,4-diphenylphenyl)phenyl]-15,23,23,31-tetrakis(9-phenylcarbazol-3-yl)-1,3,12,39-tetrazanonacyclo[22.9.2.219,22.12,6.17,11.012,20.013,18.027,34.028,33]nonatriaconta-2,4,6(39),7(38),8,10,13(18),14,16,19,21,24(35),25,27(34),28(33),29,31,36-octadecaene is sourced from PubChem (CID 161466513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).