(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene

C56H42N4O — CID 142324064

IUPAC(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1.[H]/N=C(\C=C(/N)c1ccccc1)n1c2ccc3ccccc3c2c2cccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c21
InChIInChI=1S/C43H30N4O.C13H12/c44-35(29-13-3-1-4-14-29)27-41(45)47-38-25-22-28-12-7-8-17-32(28)42(38)34-19-11-18-33(43(34)47)30-23-24-37-40(26-30)48-39-21-10-9-20-36(39)46(37)31-15-5-2-6-16-31;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h1-27,45H,44H2;2-10H,1H3/b35-27-,45-41+;
InChIKeyNXDLCTWIVPZLKF-AFCIBZHUSA-N
MW786.98 g/mol
LogP14.68
Rot. Bonds5

About (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene

(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene (PubChem CID 142324064) has the molecular formula C56H42N4O and a molecular weight of 786.98 g/mol. Its IUPAC name is (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
PubChem CID142324064
Molecular FormulaC56H42N4O
Molecular Weight786.98 g/mol
Exact Mass786.34
IUPAC Name(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1.[H]/N=C(\C=C(/N)c1ccccc1)n1c2ccc3ccccc3c2c2cccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c21
InChIInChI=1S/C43H30N4O.C13H12/c44-35(29-13-3-1-4-14-29)27-41(45)47-38-25-22-28-12-7-8-17-32(28)42(38)34-19-11-18-33(43(34)47)30-23-24-37-40(26-30)48-39-21-10-9-20-36(39)46(37)31-15-5-2-6-16-31;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h1-27,45H,44H2;2-10H,1H3/b35-27-,45-41+;
InChIKeyNXDLCTWIVPZLKF-AFCIBZHUSA-N
XLogP14.68
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.98
LogP ≤ 514.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide
CID 142324237
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine
CID 134432063
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2-(benzenecarboximidoyl)-N-[[9-[3-(10-phenylphenoxazin-2-yl)phenyl]benzo[c]carbazol-7-yl]methyl]aniline
CID 134431738
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
2-[7-[3-[4-ethenyl-5-methyl-6-(4-phenylcyclohepta-1,3,6-trien-1-yl)pyrimidin-2-yl]phenyl]benzo[g]carbazol-8-yl]-10-phenylphenoxazine
CID 142324089
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene?
The IUPAC name of (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene (CID 142324064) is (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene.
What is the SMILES notation for (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene?
The canonical SMILES for (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene is Cc1ccc(-c2ccccc2)cc1.[H]/N=C(\C=C(/N)c1ccccc1)n1c2ccc3ccccc3c2c2cccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)c21.
What is the InChIKey of (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene?
The InChIKey is NXDLCTWIVPZLKF-AFCIBZHUSA-N. The full InChI is InChI=1S/C43H30N4O.C13H12/c44-35(29-13-3-1-4-14-29)27-41(45)47-38-25-22-28-12-7-8-17-32(28)42(38)34-19-11-18-33(43(34)47)30-23-24-37-40(26-30)48-39-21-10-9-20-36(39)46(37)31-15-5-2-6-16-31;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h1-27,45H,44H2;2-10H,1H3/b35-27-,45-41+;.
What are the key properties of (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene?
(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene has a molecular weight of 786.98 g/mol, XLogP of 14.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene is sourced from PubChem (CID 142324064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).