9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole

C126H66N4O8 — CID 59147302

IUPAC9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cc4c(cc3c2c1)oc1ccc(-c2cc(-c3ccc5oc6cc7c(cc6c5c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc37)c(-c3ccc5oc6cc7c(cc6c5c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc37)cc2-c2ccc3oc5cc6c(cc5c3c2)oc2ccc(-n3c5ccccc5c5ccccc53)cc26)cc14
InChIInChI=1S/C126H66N4O8/c1-9-25-103-75(17-1)76-18-2-10-26-104(76)127(103)71-37-45-115-91(53-71)99-63-119-95(59-123(99)135-115)87-49-67(33-41-111(87)131-119)83-57-85(69-35-43-113-89(51-69)97-61-125-101(65-121(97)133-113)93-55-73(39-47-117(93)137-125)129-107-29-13-5-21-79(107)80-22-6-14-30-108(80)129)86(70-36-44-114-90(52-70)98-62-126-102(66-122(98)134-114)94-56-74(40-48-118(94)138-126)130-109-31-15-7-23-81(109)82-24-8-16-32-110(82)130)58-84(83)68-34-42-112-88(50-68)96-60-124-100(64-120(96)132-112)92-54-72(38-46-116(92)136-124)128-105-27-11-3-19-77(105)78-20-4-12-28-106(78)128/h1-66H
InChIKeyFMCMIKCGAZZTTG-UHFFFAOYSA-N
MW1763.93 g/mol
LogP35.94
Rot. Bonds8

About 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole

9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole (PubChem CID 59147302) has the molecular formula C126H66N4O8 and a molecular weight of 1763.93 g/mol. Its IUPAC name is 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole.

Molecular Properties

Compound Name9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
PubChem CID59147302
Molecular FormulaC126H66N4O8
Molecular Weight1763.93 g/mol
Exact Mass1762.49
IUPAC Name9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cc4c(cc3c2c1)oc1ccc(-c2cc(-c3ccc5oc6cc7c(cc6c5c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc37)c(-c3ccc5oc6cc7c(cc6c5c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc37)cc2-c2ccc3oc5cc6c(cc5c3c2)oc2ccc(-n3c5ccccc5c5ccccc53)cc26)cc14
InChIInChI=1S/C126H66N4O8/c1-9-25-103-75(17-1)76-18-2-10-26-104(76)127(103)71-37-45-115-91(53-71)99-63-119-95(59-123(99)135-115)87-49-67(33-41-111(87)131-119)83-57-85(69-35-43-113-89(51-69)97-61-125-101(65-121(97)133-113)93-55-73(39-47-117(93)137-125)129-107-29-13-5-21-79(107)80-22-6-14-30-108(80)129)86(70-36-44-114-90(52-70)98-62-126-102(66-122(98)134-114)94-56-74(40-48-118(94)138-126)130-109-31-15-7-23-81(109)82-24-8-16-32-110(82)130)58-84(83)68-34-42-112-88(50-68)96-60-124-100(64-120(96)132-112)92-54-72(38-46-116(92)136-124)128-105-27-11-3-19-77(105)78-20-4-12-28-106(78)128/h1-66H
InChIKeyFMCMIKCGAZZTTG-UHFFFAOYSA-N
XLogP35.94
TPSA124.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.93
LogP ≤ 535.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole with MolForge

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Related Compounds

9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 90352217
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-(16-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole
CID 59147212
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-methoxyphenyl]dibenzofuran-2-yl]carbazole
CID 90352219
9-[18-[3,5-bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-[18-[3-(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-[18-[4-(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 159892311
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606

Frequently Asked Questions

What is the IUPAC name of 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?
The IUPAC name of 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole (CID 59147302) is 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole.
What is the SMILES notation for 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?
The canonical SMILES for 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cc4c(cc3c2c1)oc1ccc(-c2cc(-c3ccc5oc6cc7c(cc6c5c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc37)c(-c3ccc5oc6cc7c(cc6c5c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc37)cc2-c2ccc3oc5cc6c(cc5c3c2)oc2ccc(-n3c5ccccc5c5ccccc53)cc26)cc14.
What is the InChIKey of 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?
The InChIKey is FMCMIKCGAZZTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H66N4O8/c1-9-25-103-75(17-1)76-18-2-10-26-104(76)127(103)71-37-45-115-91(53-71)99-63-119-95(59-123(99)135-115)87-49-67(33-41-111(87)131-119)83-57-85(69-35-43-113-89(51-69)97-61-125-101(65-121(97)133-113)93-55-73(39-47-117(93)137-125)129-107-29-13-5-21-79(107)80-22-6-14-30-108(80)129)86(70-36-44-114-90(52-70)98-62-126-102(66-122(98)134-114)94-56-74(40-48-118(94)138-126)130-109-31-15-7-23-81(109)82-24-8-16-32-110(82)130)58-84(83)68-34-42-112-88(50-68)96-60-124-100(64-120(96)132-112)92-54-72(38-46-116(92)136-124)128-105-27-11-3-19-77(105)78-20-4-12-28-106(78)128/h1-66H.
What are the key properties of 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?
9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole has a molecular weight of 1763.93 g/mol, XLogP of 35.94, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole is sourced from PubChem (CID 59147302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).