11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole

C32H21N4+ — CID 163431339

IUPAC11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(C2=[N+]=C(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)N2)cc1
InChIInChI=1S/C32H20N4/c1-3-11-21(12-4-1)31-33-32(34-31)36-28-18-10-8-16-24(28)26-20-19-25-23-15-7-9-17-27(23)35(29(25)30(26)36)22-13-5-2-6-14-22/h1-20H/p+1
InChIKeyDXEWEENZNATQIG-UHFFFAOYSA-O
MW461.55 g/mol
LogP6.21
Rot. Bonds2

About 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole

11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole (PubChem CID 163431339) has the molecular formula C32H21N4+ and a molecular weight of 461.55 g/mol. Its IUPAC name is 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole
PubChem CID163431339
Molecular FormulaC32H21N4+
Molecular Weight461.55 g/mol
Exact Mass461.18
IUPAC Name11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(C2=[N+]=C(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)N2)cc1
InChIInChI=1S/C32H20N4/c1-3-11-21(12-4-1)31-33-32(34-31)36-28-18-10-8-16-24(28)26-20-19-25-23-15-7-9-17-27(23)35(29(25)30(26)36)22-13-5-2-6-14-22/h1-20H/p+1
InChIKeyDXEWEENZNATQIG-UHFFFAOYSA-O
XLogP6.21
TPSA35.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 130452310
2-bromo-1,9-diphenylcarbazole
CID 174724226
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole (CID 163431339) is 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole is c1ccc(C2=[N+]=C(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)N2)cc1.
What is the InChIKey of 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole?
The InChIKey is DXEWEENZNATQIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H20N4/c1-3-11-21(12-4-1)31-33-32(34-31)36-28-18-10-8-16-24(28)26-20-19-25-23-15-7-9-17-27(23)35(29(25)30(26)36)22-13-5-2-6-14-22/h1-20H/p+1.
What are the key properties of 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole?
11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole has a molecular weight of 461.55 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-(4-phenyl-1-aza-3-azoniacyclobuta-2,3-dien-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 163431339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).