N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine

C61H42N4 — CID 139309354

IUPACN-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
SMILES[H]/N=C(/C=C(\Nn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3cccc4ccccc34)ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C61H42N4/c62-55(44-21-9-3-10-22-44)40-56(45-23-11-4-12-24-45)63-65-60-34-30-47(42-18-7-2-8-19-42)37-53(60)54-39-49(31-35-61(54)65)48-29-33-59-52(38-48)51-36-46(41-16-5-1-6-17-41)28-32-58(51)64(59)57-27-15-25-43-20-13-14-26-50(43)57/h1-40,62-63H/b56-40-,62-55-
InChIKeyTWCKXKOQMLPZLO-UVYKDWMLSA-N
MW831.04 g/mol
LogP15.70
Rot. Bonds9

About N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine

N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine (PubChem CID 139309354) has the molecular formula C61H42N4 and a molecular weight of 831.04 g/mol. Its IUPAC name is N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine.

Molecular Properties

Compound NameN-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
PubChem CID139309354
Molecular FormulaC61H42N4
Molecular Weight831.04 g/mol
Exact Mass830.34
IUPAC NameN-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
SMILES[H]/N=C(/C=C(\Nn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3cccc4ccccc34)ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C61H42N4/c62-55(44-21-9-3-10-22-44)40-56(45-23-11-4-12-24-45)63-65-60-34-30-47(42-18-7-2-8-19-42)37-53(60)54-39-49(31-35-61(54)65)48-29-33-59-52(38-48)51-36-46(41-16-5-1-6-17-41)28-32-58(51)64(59)57-27-15-25-43-20-13-14-26-50(43)57/h1-40,62-63H/b56-40-,62-55-
InChIKeyTWCKXKOQMLPZLO-UVYKDWMLSA-N
XLogP15.70
TPSA45.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 515.70
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

3-dibenzothiophen-4-yl-N-[(Z)-3-imino-1-phenyl-3-(4-phenylphenyl)prop-1-enyl]carbazol-9-amine
CID 142356882
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568902
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569065
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
(Z)-3-[7-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568910
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569028

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine?
The IUPAC name of N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine (CID 139309354) is N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine.
What is the SMILES notation for N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine?
The canonical SMILES for N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine is [H]/N=C(/C=C(\Nn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3cccc4ccccc34)ccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine?
The InChIKey is TWCKXKOQMLPZLO-UVYKDWMLSA-N. The full InChI is InChI=1S/C61H42N4/c62-55(44-21-9-3-10-22-44)40-56(45-23-11-4-12-24-45)63-65-60-34-30-47(42-18-7-2-8-19-42)37-53(60)54-39-49(31-35-61(54)65)48-29-33-59-52(38-48)51-36-46(41-16-5-1-6-17-41)28-32-58(51)64(59)57-27-15-25-43-20-13-14-26-50(43)57/h1-40,62-63H/b56-40-,62-55-.
What are the key properties of N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine?
N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine has a molecular weight of 831.04 g/mol, XLogP of 15.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine is sourced from PubChem (CID 139309354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).