9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole

C68H44N2 — CID 58501039

IUPAC9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
SMILESc1ccc(C23c4ccccc4C(c4ccccc4)(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc42)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc23)cc1
InChIInChI=1S/C68H44N2/c1-3-17-49(18-4-1)67-57-25-11-12-26-58(57)68(50-19-5-2-6-20-50,60-42-36-47(43-61(60)67)45-31-37-51(38-32-45)69-63-27-13-7-21-53(63)54-22-8-14-28-64(54)69)62-44-48(35-41-59(62)67)46-33-39-52(40-34-46)70-65-29-15-9-23-55(65)56-24-10-16-30-66(56)70/h1-44H
InChIKeyGRPMGWSFWCZVOH-UHFFFAOYSA-N
MW889.11 g/mol
LogP16.61
Rot. Bonds6

About 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole

9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole (PubChem CID 58501039) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
PubChem CID58501039
Molecular FormulaC68H44N2
Molecular Weight889.11 g/mol
Exact Mass888.35
IUPAC Name9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
SMILESc1ccc(C23c4ccccc4C(c4ccccc4)(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc42)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc23)cc1
InChIInChI=1S/C68H44N2/c1-3-17-49(18-4-1)67-57-25-11-12-26-58(57)68(50-19-5-2-6-20-50,60-42-36-47(43-61(60)67)45-31-37-51(38-32-45)69-63-27-13-7-21-53(63)54-22-8-14-28-64(54)69)62-44-48(35-41-59(62)67)46-33-39-52(40-34-46)70-65-29-15-9-23-55(65)56-24-10-16-30-66(56)70/h1-44H
InChIKeyGRPMGWSFWCZVOH-UHFFFAOYSA-N
XLogP16.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole with MolForge

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Related Compounds

9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 70669817
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 58501050
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
2'-(4-carbazol-9-ylphenyl)-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140042
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
CID 59307089
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590548
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590665

Frequently Asked Questions

What is the IUPAC name of 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole (CID 58501039) is 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole is c1ccc(C23c4ccccc4C(c4ccccc4)(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc42)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc23)cc1.
What is the InChIKey of 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
The InChIKey is GRPMGWSFWCZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-3-17-49(18-4-1)67-57-25-11-12-26-58(57)68(50-19-5-2-6-20-50,60-42-36-47(43-61(60)67)45-31-37-51(38-32-45)69-63-27-13-7-21-53(63)54-22-8-14-28-64(54)69)62-44-48(35-41-59(62)67)46-33-39-52(40-34-46)70-65-29-15-9-23-55(65)56-24-10-16-30-66(56)70/h1-44H.
What are the key properties of 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole has a molecular weight of 889.11 g/mol, XLogP of 16.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole is sourced from PubChem (CID 58501039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).