4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one

C46H28N6O — CID 171448319

IUPAC4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one
SMILESO=c1nc2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ccn2c2nc(-c3ccccc3)nc(-c3ccccc3)c12
InChIInChI=1S/C46H28N6O/c53-46-40-41(29-14-4-1-5-15-29)48-44(30-16-6-2-7-17-30)49-45(40)50-27-26-32(28-39(50)47-46)52-38-23-13-11-21-34(38)36-25-24-35-33-20-10-12-22-37(33)51(42(35)43(36)52)31-18-8-3-9-19-31/h1-28H
InChIKeyNRCQACWWFTYPQH-UHFFFAOYSA-N
MW680.77 g/mol
LogP10.17
Rot. Bonds4

About 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one

4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one (PubChem CID 171448319) has the molecular formula C46H28N6O and a molecular weight of 680.77 g/mol. Its IUPAC name is 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one.

Molecular Properties

Compound Name4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one
PubChem CID171448319
Molecular FormulaC46H28N6O
Molecular Weight680.77 g/mol
Exact Mass680.23
IUPAC Name4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one
SMILESO=c1nc2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ccn2c2nc(-c3ccccc3)nc(-c3ccccc3)c12
InChIInChI=1S/C46H28N6O/c53-46-40-41(29-14-4-1-5-15-29)48-44(30-16-6-2-7-17-30)49-45(40)50-27-26-32(28-39(50)47-46)52-38-23-13-11-21-34(38)36-25-24-35-33-20-10-12-22-37(33)51(42(35)43(36)52)31-18-8-3-9-19-31/h1-28H
InChIKeyNRCQACWWFTYPQH-UHFFFAOYSA-N
XLogP10.17
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one with MolForge

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Related Compounds

12-[4-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160666176
3-[9-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159206818
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole
CID 166922707
2-phenyl-4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 130334070
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
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
4,6-diphenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidine-5-carbonitrile
CID 163478634
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one?
The IUPAC name of 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one (CID 171448319) is 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one.
What is the SMILES notation for 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one?
The canonical SMILES for 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one is O=c1nc2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ccn2c2nc(-c3ccccc3)nc(-c3ccccc3)c12.
What is the InChIKey of 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one?
The InChIKey is NRCQACWWFTYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O/c53-46-40-41(29-14-4-1-5-15-29)48-44(30-16-6-2-7-17-30)49-45(40)50-27-26-32(28-39(50)47-46)52-38-23-13-11-21-34(38)36-25-24-35-33-20-10-12-22-37(33)51(42(35)43(36)52)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one?
4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one has a molecular weight of 680.77 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-12-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5,9-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,9,11,13-hexaen-8-one is sourced from PubChem (CID 171448319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).