7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine

C36H22N4 — CID 153462466

IUPAC7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
SMILES[C-]#[N+]c1cc([N+]#[C-])cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C36H22N4/c1-37-26-21-27(38-2)23-31(22-26)40-34-20-18-30(39(28-12-5-3-6-13-28)29-14-7-4-8-15-29)24-33(34)36-32-16-10-9-11-25(32)17-19-35(36)40/h3-24H
InChIKeyXTRPDVSBEZVELG-UHFFFAOYSA-N
MW510.60 g/mol
LogP10.51
Rot. Bonds4

About 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine

7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine (PubChem CID 153462466) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound Name7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
PubChem CID153462466
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
SMILES[C-]#[N+]c1cc([N+]#[C-])cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C36H22N4/c1-37-26-21-27(38-2)23-31(22-26)40-34-20-18-30(39(28-12-5-3-6-13-28)29-14-7-4-8-15-29)24-33(34)36-32-16-10-9-11-25(32)17-19-35(36)40/h3-24H
InChIKeyXTRPDVSBEZVELG-UHFFFAOYSA-N
XLogP10.51
TPSA16.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-isocyanophenyl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaen-7-amine
CID 123997757
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
5-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462451
5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
CID 163616554

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?
The IUPAC name of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine (CID 153462466) is 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?
The canonical SMILES for 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine is [C-]#[N+]c1cc([N+]#[C-])cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?
The InChIKey is XTRPDVSBEZVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-37-26-21-27(38-2)23-31(22-26)40-34-20-18-30(39(28-12-5-3-6-13-28)29-14-7-4-8-15-29)24-33(34)36-32-16-10-9-11-25(32)17-19-35(36)40/h3-24H.
What are the key properties of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?
7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine has a molecular weight of 510.60 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 153462466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).