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

C34H28N2 — CID 58489582

IUPAC9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C34H28N2/c1-34(2,3)23-18-20-30-28(22-23)26-19-21-31-32(33(26)36(30)25-14-8-5-9-15-25)27-16-10-11-17-29(27)35(31)24-12-6-4-7-13-24/h4-22H,1-3H3
InChIKeyGCTHBWPGCSKXAS-UHFFFAOYSA-N
MW464.61 g/mol
LogP9.18
Rot. Bonds2

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

9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 58489582) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
PubChem CID58489582
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C34H28N2/c1-34(2,3)23-18-20-30-28(22-23)26-19-21-31-32(33(26)36(30)25-14-8-5-9-15-25)27-16-10-11-17-29(27)35(31)24-12-6-4-7-13-24/h4-22H,1-3H3
InChIKeyGCTHBWPGCSKXAS-UHFFFAOYSA-N
XLogP9.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
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
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
5-tert-butyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 129035048
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole?
The IUPAC name of 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole (CID 58489582) is 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole.
What is the SMILES notation for 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole?
The canonical SMILES for 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole is CC(C)(C)c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole?
The InChIKey is GCTHBWPGCSKXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-34(2,3)23-18-20-30-28(22-23)26-19-21-31-32(33(26)36(30)25-14-8-5-9-15-25)27-16-10-11-17-29(27)35(31)24-12-6-4-7-13-24/h4-22H,1-3H3.
What are the key properties of 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole?
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole has a molecular weight of 464.61 g/mol, XLogP of 9.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 58489582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).