9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine

C225H147N27 — CID 159694810

IUPAC9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2cnc(-c3cc(-c4ncc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)cn4)cc(-c4ncc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)cn4)c3)nc2)c2ccccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cnc(-c2cc(-c3ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)cc(-c3ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)c2)nc1
InChIInChI=1S/C126H75N15.C99H72N12/c1-13-37-106-88(25-1)89-26-2-14-38-107(89)133(106)79-49-55-118-100(64-79)101-65-80(134-108-39-15-3-27-90(108)91-28-4-16-40-109(91)134)50-56-119(101)139(118)85-70-127-124(128-71-85)76-61-77(125-129-72-86(73-130-125)140-120-57-51-81(135-110-41-17-5-29-92(110)93-30-6-18-42-111(93)135)66-102(120)103-67-82(52-58-121(103)140)136-112-43-19-7-31-94(112)95-32-8-20-44-113(95)136)63-78(62-76)126-131-74-87(75-132-126)141-122-59-53-83(137-114-45-21-9-33-96(114)97-34-10-22-46-115(97)137)68-104(122)105-69-84(54-60-123(105)141)138-116-47-23-11-35-98(116)99-36-12-24-48-117(99)138;1-97(2)76-28-10-19-37-88(76)106(89-38-20-11-29-77(89)97)64-43-46-85-73(52-64)70-25-7-16-34-82(70)109(85)67-55-100-94(101-56-67)61-49-62(95-102-57-68(58-103-95)110-83-35-17-8-26-71(83)74-53-65(44-47-86(74)110)107-90-39-21-12-30-78(90)98(3,4)79-31-13-22-40-91(79)107)51-63(50-61)96-104-59-69(60-105-96)111-84-36-18-9-27-72(84)75-54-66(45-48-87(75)111)108-92-41-23-14-32-80(92)99(5,6)81-33-15-24-42-93(81)108/h1-75H;7-60H,1-6H3
InChIKeyMWWIAKOTHAPDRI-UHFFFAOYSA-N
MW3228.84 g/mol
LogP55.61
Rot. Bonds21

About 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine

9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine (PubChem CID 159694810) has the molecular formula C225H147N27 and a molecular weight of 3228.84 g/mol. Its IUPAC name is 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
PubChem CID159694810
Molecular FormulaC225H147N27
Molecular Weight3228.84 g/mol
Exact Mass3226.23
IUPAC Name9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2cnc(-c3cc(-c4ncc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)cn4)cc(-c4ncc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)cn4)c3)nc2)c2ccccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cnc(-c2cc(-c3ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)cc(-c3ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)c2)nc1
InChIInChI=1S/C126H75N15.C99H72N12/c1-13-37-106-88(25-1)89-26-2-14-38-107(89)133(106)79-49-55-118-100(64-79)101-65-80(134-108-39-15-3-27-90(108)91-28-4-16-40-109(91)134)50-56-119(101)139(118)85-70-127-124(128-71-85)76-61-77(125-129-72-86(73-130-125)140-120-57-51-81(135-110-41-17-5-29-92(110)93-30-6-18-42-111(93)135)66-102(120)103-67-82(52-58-121(103)140)136-112-43-19-7-31-94(112)95-32-8-20-44-113(95)136)63-78(62-76)126-131-74-87(75-132-126)141-122-59-53-83(137-114-45-21-9-33-96(114)97-34-10-22-46-115(97)137)68-104(122)105-69-84(54-60-123(105)141)138-116-47-23-11-35-98(116)99-36-12-24-48-117(99)138;1-97(2)76-28-10-19-37-88(76)106(89-38-20-11-29-77(89)97)64-43-46-85-73(52-64)70-25-7-16-34-82(70)109(85)67-55-100-94(101-56-67)61-49-62(95-102-57-68(58-103-95)110-83-35-17-8-26-71(83)74-53-65(44-47-86(74)110)107-90-39-21-12-30-78(90)98(3,4)79-31-13-22-40-91(79)107)51-63(50-61)96-104-59-69(60-105-96)111-84-36-18-9-27-72(84)75-54-66(45-48-87(75)111)108-92-41-23-14-32-80(92)99(5,6)81-33-15-24-42-93(81)108/h1-75H;7-60H,1-6H3
InChIKeyMWWIAKOTHAPDRI-UHFFFAOYSA-N
XLogP55.61
TPSA223.56 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003228.84
LogP ≤ 555.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 153482873
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
6-[2,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)phenanthro[9,10-b]pyrazine
CID 118912206
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine?
The IUPAC name of 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine (CID 159694810) is 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine.
What is the SMILES notation for 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine?
The canonical SMILES for 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2cnc(-c3cc(-c4ncc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)cn4)cc(-c4ncc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)cn4)c3)nc2)c2ccccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1cnc(-c2cc(-c3ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)cc(-c3ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)c2)nc1.
What is the InChIKey of 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine?
The InChIKey is MWWIAKOTHAPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H75N15.C99H72N12/c1-13-37-106-88(25-1)89-26-2-14-38-107(89)133(106)79-49-55-118-100(64-79)101-65-80(134-108-39-15-3-27-90(108)91-28-4-16-40-109(91)134)50-56-119(101)139(118)85-70-127-124(128-71-85)76-61-77(125-129-72-86(73-130-125)140-120-57-51-81(135-110-41-17-5-29-92(110)93-30-6-18-42-111(93)135)66-102(120)103-67-82(52-58-121(103)140)136-112-43-19-7-31-94(112)95-32-8-20-44-113(95)136)63-78(62-76)126-131-74-87(75-132-126)141-122-59-53-83(137-114-45-21-9-33-96(114)97-34-10-22-46-115(97)137)68-104(122)105-69-84(54-60-123(105)141)138-116-47-23-11-35-98(116)99-36-12-24-48-117(99)138;1-97(2)76-28-10-19-37-88(76)106(89-38-20-11-29-77(89)97)64-43-46-85-73(52-64)70-25-7-16-34-82(70)109(85)67-55-100-94(101-56-67)61-49-62(95-102-57-68(58-103-95)110-83-35-17-8-26-71(83)74-53-65(44-47-86(74)110)107-90-39-21-12-30-78(90)98(3,4)79-31-13-22-40-91(79)107)51-63(50-61)96-104-59-69(60-105-96)111-84-36-18-9-27-72(84)75-54-66(45-48-87(75)111)108-92-41-23-14-32-80(92)99(5,6)81-33-15-24-42-93(81)108/h1-75H;7-60H,1-6H3.
What are the key properties of 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine?
9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine has a molecular weight of 3228.84 g/mol, XLogP of 55.61, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 159694810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).