N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine

C40H29N3 — CID 129225110

IUPACN-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine
SMILESC=N/C=C\c1c(C)n(-c2ccccc2)c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cccc12
InChIInChI=1S/C40H29N3/c1-27-33(23-24-41-2)36-17-10-16-34(40(36)42(27)31-13-4-3-5-14-31)30-20-22-39-37(26-30)35-15-8-9-18-38(35)43(39)32-21-19-28-11-6-7-12-29(28)25-32/h3-26H,2H2,1H3/b24-23-
InChIKeyMHNUKQWZBKIAGG-VHXPQNKSSA-N
MW551.69 g/mol
LogP10.53
Rot. Bonds5

About N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine

N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine (PubChem CID 129225110) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine
PubChem CID129225110
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC NameN-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine
SMILESC=N/C=C\c1c(C)n(-c2ccccc2)c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cccc12
InChIInChI=1S/C40H29N3/c1-27-33(23-24-41-2)36-17-10-16-34(40(36)42(27)31-13-4-3-5-14-31)30-20-22-39-37(26-30)35-15-8-9-18-38(35)43(39)32-21-19-28-11-6-7-12-29(28)25-32/h3-26H,2H2,1H3/b24-23-
InChIKeyMHNUKQWZBKIAGG-VHXPQNKSSA-N
XLogP10.53
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
N-[(Z)-2-[1-[3-[4,6-bis(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-methylindol-3-yl]ethenyl]methanimine
CID 139554448
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
N-[(Z)-2-[3-methyl-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,7,9-hexaen-2-yl]ethenyl]methanimine
CID 130331024
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine (CID 129225110) is N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine is C=N/C=C\c1c(C)n(-c2ccccc2)c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cccc12.
What is the InChIKey of N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine?
The InChIKey is MHNUKQWZBKIAGG-VHXPQNKSSA-N. The full InChI is InChI=1S/C40H29N3/c1-27-33(23-24-41-2)36-17-10-16-34(40(36)42(27)31-13-4-3-5-14-31)30-20-22-39-37(26-30)35-15-8-9-18-38(35)43(39)32-21-19-28-11-6-7-12-29(28)25-32/h3-26H,2H2,1H3/b24-23-.
What are the key properties of N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine?
N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine has a molecular weight of 551.69 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[2-methyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-1-phenylindol-3-yl]ethenyl]methanimine is sourced from PubChem (CID 129225110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).