[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine

C48H31N5 — CID 121307478

IUPAC[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine
SMILES[H]/N=C/c1cc(/C=N/[H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H31N5/c49-28-31-25-32(29-50)47(27-46(31)52-42-19-9-5-15-37(42)38-16-6-10-20-43(38)52)53-44-24-22-33(26-39(44)48-34-12-2-1-11-30(34)21-23-45(48)53)51-40-17-7-3-13-35(40)36-14-4-8-18-41(36)51/h1-29,49-50H/b49-28+,50-29+
InChIKeyKMMPKCYLHFGJEG-VDPOZIHNSA-N
MW677.81 g/mol
LogP12.13
Rot. Bonds5

About [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine

[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine (PubChem CID 121307478) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine.

Molecular Properties

Compound Name[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine
PubChem CID121307478
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine
SMILES[H]/N=C/c1cc(/C=N/[H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H31N5/c49-28-31-25-32(29-50)47(27-46(31)52-42-19-9-5-15-37(42)38-16-6-10-20-43(38)52)53-44-24-22-33(26-39(44)48-34-12-2-1-11-30(34)21-23-45(48)53)51-40-17-7-3-13-35(40)36-14-4-8-18-41(36)51/h1-29,49-50H/b49-28+,50-29+
InChIKeyKMMPKCYLHFGJEG-VDPOZIHNSA-N
XLogP12.13
TPSA62.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-methanimidoylphenyl]methanimine
CID 121307314
[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
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
5-carbazol-9-yl-4-methanimidoyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile
CID 121307162
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
CID 121307202
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
10-carbazol-9-yl-7-iodobenzo[c]carbazole
CID 163563060
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328756
7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine
CID 121307247
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510

Frequently Asked Questions

What is the IUPAC name of [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine?
The IUPAC name of [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine (CID 121307478) is [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine.
What is the SMILES notation for [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine?
The canonical SMILES for [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine is [H]/N=C/c1cc(/C=N/[H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine?
The InChIKey is KMMPKCYLHFGJEG-VDPOZIHNSA-N. The full InChI is InChI=1S/C48H31N5/c49-28-31-25-32(29-50)47(27-46(31)52-42-19-9-5-15-37(42)38-16-6-10-20-43(38)52)53-44-24-22-33(26-39(44)48-34-12-2-1-11-30(34)21-23-45(48)53)51-40-17-7-3-13-35(40)36-14-4-8-18-41(36)51/h1-29,49-50H/b49-28+,50-29+.
What are the key properties of [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine?
[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine has a molecular weight of 677.81 g/mol, XLogP of 12.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine is sourced from PubChem (CID 121307478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).