6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

C56H40N4 — CID 174179241

IUPAC6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc(C4c5[nH]c6ccccc6c5C(c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)c5[nH]c6ccccc6c54)ccc32)cc1
InChIInChI=1S/C56H40N4/c1-3-15-35(16-4-1)33-59-47-25-13-9-19-39(47)43-31-37(27-29-49(43)59)51-53-41-21-7-11-23-45(41)58-56(53)52(54-42-22-8-12-24-46(42)57-55(51)54)38-28-30-50-44(32-38)40-20-10-14-26-48(40)60(50)34-36-17-5-2-6-18-36/h1-32,51-52,57-58H,33-34H2
InChIKeyRCVMXNIEHJHPPO-UHFFFAOYSA-N
MW768.96 g/mol
LogP13.64
Rot. Bonds6

About 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole (PubChem CID 174179241) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
PubChem CID174179241
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Name6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc(C4c5[nH]c6ccccc6c5C(c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)c5[nH]c6ccccc6c54)ccc32)cc1
InChIInChI=1S/C56H40N4/c1-3-15-35(16-4-1)33-59-47-25-13-9-19-39(47)43-31-37(27-29-49(43)59)51-53-41-21-7-11-23-45(41)58-56(53)52(54-42-22-8-12-24-46(42)57-55(51)54)38-28-30-50-44(32-38)40-20-10-14-26-48(40)60(50)34-36-17-5-2-6-18-36/h1-32,51-52,57-58H,33-34H2
InChIKeyRCVMXNIEHJHPPO-UHFFFAOYSA-N
XLogP13.64
TPSA41.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 513.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861
6,12-bis(3,5-ditert-butylphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
CID 25197870
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
1-benzylindole-2,3-diamine
CID 142192316
9-benzyl-3-[(E)-prop-1-enyl]carbazole
CID 89489502
9-benzyl-2-bromocarbazole
CID 123133636
9-benzyl-3-(piperazin-2-ylmethyl)carbazole
CID 175400244
15-benzyl-12,18-ditert-butyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 171844923
9H-carbazole;9-ethylcarbazole
CID 159391034
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221459
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The IUPAC name of 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole (CID 174179241) is 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The canonical SMILES for 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole is c1ccc(Cn2c3ccccc3c3cc(C4c5[nH]c6ccccc6c5C(c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)c5[nH]c6ccccc6c54)ccc32)cc1.
What is the InChIKey of 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The InChIKey is RCVMXNIEHJHPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-3-15-35(16-4-1)33-59-47-25-13-9-19-39(47)43-31-37(27-29-49(43)59)51-53-41-21-7-11-23-45(41)58-56(53)52(54-42-22-8-12-24-46(42)57-55(51)54)38-28-30-50-44(32-38)40-20-10-14-26-48(40)60(50)34-36-17-5-2-6-18-36/h1-32,51-52,57-58H,33-34H2.
What are the key properties of 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole has a molecular weight of 768.96 g/mol, XLogP of 13.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(9-benzylcarbazol-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 174179241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).