3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole

C66H41N — CID 145085350

IUPAC3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8c(c7)c7cccc9c%10cc%11ccccc%11cc%10c%10ccccc%10c8cc79)cc6)ccc54)cc3)c2)cc1
InChIInChI=1S/C66H41N/c1-2-12-42(13-3-1)46-16-10-17-47(36-46)45-28-32-52(33-29-45)67-65-23-9-8-20-58(65)64-40-51(31-35-66(64)67)44-26-24-43(25-27-44)50-30-34-57-59(39-50)55-21-11-22-56-61-38-49-15-5-4-14-48(49)37-60(61)53-18-6-7-19-54(53)62(57)41-63(55)56/h1-41H/b60-53-,61-56-,62-54+
InChIKeyQTUUOXGVRBOEMR-YPOYPCDYSA-N
MW848.06 g/mol
LogP18.37
Rot. Bonds5

About 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole

3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole (PubChem CID 145085350) has the molecular formula C66H41N and a molecular weight of 848.06 g/mol. Its IUPAC name is 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
PubChem CID145085350
Molecular FormulaC66H41N
Molecular Weight848.06 g/mol
Exact Mass847.32
IUPAC Name3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8c(c7)c7cccc9c%10cc%11ccccc%11cc%10c%10ccccc%10c8cc79)cc6)ccc54)cc3)c2)cc1
InChIInChI=1S/C66H41N/c1-2-12-42(13-3-1)46-16-10-17-47(36-46)45-28-32-52(33-29-45)67-65-23-9-8-20-58(65)64-40-51(31-35-66(64)67)44-26-24-43(25-27-44)50-30-34-57-59(39-50)55-21-11-22-56-61-38-49-15-5-4-14-48(49)37-60(61)53-18-6-7-19-54(53)62(57)41-63(55)56/h1-41H/b60-53-,61-56-,62-54+
InChIKeyQTUUOXGVRBOEMR-YPOYPCDYSA-N
XLogP18.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.06
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole with MolForge

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Related Compounds

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359

Frequently Asked Questions

What is the IUPAC name of 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole (CID 145085350) is 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8c(c7)c7cccc9c%10cc%11ccccc%11cc%10c%10ccccc%10c8cc79)cc6)ccc54)cc3)c2)cc1.
What is the InChIKey of 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is QTUUOXGVRBOEMR-YPOYPCDYSA-N. The full InChI is InChI=1S/C66H41N/c1-2-12-42(13-3-1)46-16-10-17-47(36-46)45-28-32-52(33-29-45)67-65-23-9-8-20-58(65)64-40-51(31-35-66(64)67)44-26-24-43(25-27-44)50-30-34-57-59(39-50)55-21-11-22-56-61-38-49-15-5-4-14-48(49)37-60(61)53-18-6-7-19-54(53)62(57)41-63(55)56/h1-41H/b60-53-,61-56-,62-54+.
What are the key properties of 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole?
3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 848.06 g/mol, XLogP of 18.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 145085350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).