7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine

C64H44N6 — CID 121307247

IUPAC7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine
SMILES[H]/N=C/c1cc(/C=N/[H])c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C64H44N6/c65-41-43-37-46(42-66)64(70-58-36-32-52(68(49-23-9-3-10-24-49)50-25-11-4-12-26-50)40-56(58)63-54-28-16-14-18-45(54)30-34-60(63)70)61(38-43)69-57-35-31-51(67(47-19-5-1-6-20-47)48-21-7-2-8-22-48)39-55(57)62-53-27-15-13-17-44(53)29-33-59(62)69/h1-42,65-66H/b65-41+,66-42+
InChIKeyFLWTWFKAFCIXHX-DFIWAFBMSA-N
MW897.10 g/mol
LogP17.12
Rot. Bonds10

About 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine

7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine (PubChem CID 121307247) has the molecular formula C64H44N6 and a molecular weight of 897.10 g/mol. Its IUPAC name is 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound Name7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine
PubChem CID121307247
Molecular FormulaC64H44N6
Molecular Weight897.10 g/mol
Exact Mass896.36
IUPAC Name7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine
SMILES[H]/N=C/c1cc(/C=N/[H])c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C64H44N6/c65-41-43-37-46(42-66)64(70-58-36-32-52(68(49-23-9-3-10-24-49)50-25-11-4-12-26-50)40-56(58)63-54-28-16-14-18-45(54)30-34-60(63)70)61(38-43)69-57-35-31-51(67(47-19-5-1-6-20-47)48-21-7-2-8-22-48)39-55(57)62-53-27-15-13-17-44(53)29-33-59(62)69/h1-42,65-66H/b65-41+,66-42+
InChIKeyFLWTWFKAFCIXHX-DFIWAFBMSA-N
XLogP17.12
TPSA64.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.10
LogP ≤ 517.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
CID 121307202
[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)-2-carbazol-9-yl-3-methanimidoylphenyl]methanimine
CID 121307476
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204
7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
CID 153462466
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
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
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine?
The IUPAC name of 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine (CID 121307247) is 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine?
The canonical SMILES for 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine is [H]/N=C/c1cc(/C=N/[H])c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine?
The InChIKey is FLWTWFKAFCIXHX-DFIWAFBMSA-N. The full InChI is InChI=1S/C64H44N6/c65-41-43-37-46(42-66)64(70-58-36-32-52(68(49-23-9-3-10-24-49)50-25-11-4-12-26-50)40-56(58)63-54-28-16-14-18-45(54)30-34-60(63)70)61(38-43)69-57-35-31-51(67(47-19-5-1-6-20-47)48-21-7-2-8-22-48)39-55(57)62-53-27-15-13-17-44(53)29-33-59(62)69/h1-42,65-66H/b65-41+,66-42+.
What are the key properties of 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine?
7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine has a molecular weight of 897.10 g/mol, XLogP of 17.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 121307247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).