(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole

C64H49N3 — CID 145077194

IUPAC(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole
SMILESCc1cccc(-c2ccc3c(c2)c2c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c2n3-c2ccccc2)c1.[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C49H35N.C15H14N2/c1-34-18-17-27-39(32-34)40-30-31-43-42(33-40)48-46(37-23-11-4-12-24-37)44(35-19-7-2-8-20-35)45(36-21-9-3-10-22-36)47(38-25-13-5-14-26-38)49(48)50(43)41-28-15-6-16-29-41;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h2-33H,1H3;1-11,16H,17H2/b;15-11-,16-14-
InChIKeyAFGDMOCZQRDDIG-YUDJFVQHSA-N
MW860.12 g/mol
LogP16.48
Rot. Bonds9

About (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole

(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole (PubChem CID 145077194) has the molecular formula C64H49N3 and a molecular weight of 860.12 g/mol. Its IUPAC name is (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole.

Molecular Properties

Compound Name(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole
PubChem CID145077194
Molecular FormulaC64H49N3
Molecular Weight860.12 g/mol
Exact Mass859.39
IUPAC Name(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole
SMILESCc1cccc(-c2ccc3c(c2)c2c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c2n3-c2ccccc2)c1.[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C49H35N.C15H14N2/c1-34-18-17-27-39(32-34)40-30-31-43-42(33-40)48-46(37-23-11-4-12-24-37)44(35-19-7-2-8-20-35)45(36-21-9-3-10-22-36)47(38-25-13-5-14-26-38)49(48)50(43)41-28-15-6-16-29-41;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h2-33H,1H3;1-11,16H,17H2/b;15-11-,16-14-
InChIKeyAFGDMOCZQRDDIG-YUDJFVQHSA-N
XLogP16.48
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.12
LogP ≤ 516.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(Z)-3-imino-3-phenyl-1-[3-(4-phenyl-4,25-diazaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.019,24]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),19,21,23,27-tridecaen-25-yl)phenyl]prop-1-en-1-amine
CID 142289839
(Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene
CID 144645907
N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
CID 139309354
[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine
CID 144756301
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 143904949
14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine
CID 144725826
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
9-[4-[5-(4-carbazol-9-ylphenyl)-9,10-bis(3-methylphenyl)anthracen-1-yl]phenyl]carbazole;9-[4-[9,10-diphenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]-3-phenylcarbazole
CID 157279460
12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
CID 165016795

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole?
The IUPAC name of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole (CID 145077194) is (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole.
What is the SMILES notation for (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole?
The canonical SMILES for (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole is Cc1cccc(-c2ccc3c(c2)c2c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c2n3-c2ccccc2)c1.[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole?
The InChIKey is AFGDMOCZQRDDIG-YUDJFVQHSA-N. The full InChI is InChI=1S/C49H35N.C15H14N2/c1-34-18-17-27-39(32-34)40-30-31-43-42(33-40)48-46(37-23-11-4-12-24-37)44(35-19-7-2-8-20-35)45(36-21-9-3-10-22-36)47(38-25-13-5-14-26-38)49(48)50(43)41-28-15-6-16-29-41;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h2-33H,1H3;1-11,16H,17H2/b;15-11-,16-14-.
What are the key properties of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole?
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole has a molecular weight of 860.12 g/mol, XLogP of 16.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole is sourced from PubChem (CID 145077194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).