N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine

C41H28N4 — CID 145387163

IUPACN-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine
SMILES[H]/N=C(\c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1ccccc1Nn1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C41H28N4/c42-40(28-23-24-33-31-16-7-10-20-37(31)44(39(33)26-28)29-13-2-1-3-14-29)35-18-6-9-19-36(35)43-45-38-21-11-8-17-32(38)34-25-22-27-12-4-5-15-30(27)41(34)45/h1-26,42-43H/b42-40+
InChIKeyQVSPUCRMVDLYDU-MZBAEZDSSA-N
MW576.70 g/mol
LogP10.34
Rot. Bonds5

About N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine

N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine (PubChem CID 145387163) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine.

Molecular Properties

Compound NameN-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine
PubChem CID145387163
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC NameN-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine
SMILES[H]/N=C(\c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1ccccc1Nn1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C41H28N4/c42-40(28-23-24-33-31-16-7-10-20-37(31)44(39(33)26-28)29-13-2-1-3-14-29)35-18-6-9-19-36(35)43-45-38-21-11-8-17-32(38)34-25-22-27-12-4-5-15-30(27)41(34)45/h1-26,42-43H/b42-40+
InChIKeyQVSPUCRMVDLYDU-MZBAEZDSSA-N
XLogP10.34
TPSA45.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 144645655
2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 89095733
2-(4-naphthalen-2-ylbenzenecarboximidoyl)-N-[[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]methyl]aniline
CID 118204231
4-[2-[[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]methylamino]benzenecarboximidoyl]benzonitrile
CID 121291550
ethane;N-methyl-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline;1-(naphthalene-1-carboximidoyl)naphthalen-2-amine
CID 144780279
2-(benzenecarboximidoyl)-N-[[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]methyl]aniline
CID 121291545
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
[2-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene-13-carboximidoyl)phenyl]-(9-phenylcarbazol-3-yl)methanimine
CID 138752453
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
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-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
9-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361343

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine?
The IUPAC name of N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine (CID 145387163) is N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine.
What is the SMILES notation for N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine?
The canonical SMILES for N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine is [H]/N=C(\c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1ccccc1Nn1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine?
The InChIKey is QVSPUCRMVDLYDU-MZBAEZDSSA-N. The full InChI is InChI=1S/C41H28N4/c42-40(28-23-24-33-31-16-7-10-20-37(31)44(39(33)26-28)29-13-2-1-3-14-29)35-18-6-9-19-36(35)43-45-38-21-11-8-17-32(38)34-25-22-27-12-4-5-15-30(27)41(34)45/h1-26,42-43H/b42-40+.
What are the key properties of N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine?
N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine has a molecular weight of 576.70 g/mol, XLogP of 10.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-phenylcarbazole-2-carboximidoyl)phenyl]benzo[a]carbazol-11-amine is sourced from PubChem (CID 145387163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).