2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole

C46H35N3 — CID 58489622

IUPAC2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c31)n2-c1ccccc1
InChIInChI=1S/C46H35N3/c1-46(2,3)30-22-25-42-38(28-30)44-43(47(42)31-14-6-4-7-15-31)27-24-36-37-29-33(23-26-41(37)49(45(36)44)32-16-8-5-9-17-32)48-39-20-12-10-18-34(39)35-19-11-13-21-40(35)48/h4-29H,1-3H3
InChIKeyDSBYNLPPBNQKJM-UHFFFAOYSA-N
MW629.81 g/mol
LogP12.28
Rot. Bonds3

About 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole

2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 58489622) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
PubChem CID58489622
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c31)n2-c1ccccc1
InChIInChI=1S/C46H35N3/c1-46(2,3)30-22-25-42-38(28-30)44-43(47(42)31-14-6-4-7-15-31)27-24-36-37-29-33(23-26-41(37)49(45(36)44)32-16-8-5-9-17-32)48-39-20-12-10-18-34(39)35-19-11-13-21-40(35)48/h4-29H,1-3H3
InChIKeyDSBYNLPPBNQKJM-UHFFFAOYSA-N
XLogP12.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
[3-[3,8-ditert-butyl-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazol-12-yl]phenyl]-[3-[2,9-ditert-butyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenyl]-(2,4,6-trimethylphenyl)borane
CID 161458348
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598134
4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
CID 88541137
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole?
The IUPAC name of 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole (CID 58489622) is 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole.
What is the SMILES notation for 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole?
The canonical SMILES for 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole is CC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c31)n2-c1ccccc1.
What is the InChIKey of 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole?
The InChIKey is DSBYNLPPBNQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-46(2,3)30-22-25-42-38(28-30)44-43(47(42)31-14-6-4-7-15-31)27-24-36-37-29-33(23-26-41(37)49(45(36)44)32-16-8-5-9-17-32)48-39-20-12-10-18-34(39)35-19-11-13-21-40(35)48/h4-29H,1-3H3.
What are the key properties of 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole?
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole has a molecular weight of 629.81 g/mol, XLogP of 12.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 58489622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).