1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine

C47H33N3 — CID 142621830

IUPAC1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)c1ccc(-c2cccc3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)nc23)cc1)c1ccccc1
InChIInChI=1S/C47H33N3/c1-31(33-11-4-3-5-12-33)48-32(2)34-19-21-36(22-20-34)40-17-10-14-38-26-30-44(49-46(38)40)37-23-27-39(28-24-37)50-45-18-9-8-16-42(45)43-29-25-35-13-6-7-15-41(35)47(43)50/h3-30H,1H2,2H3/b48-32+
InChIKeyFBJZELPLXJMPSH-QKWQYVPCSA-N
MW639.80 g/mol
LogP12.30
Rot. Bonds6

About 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine

1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine (PubChem CID 142621830) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine.

Molecular Properties

Compound Name1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine
PubChem CID142621830
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)c1ccc(-c2cccc3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)nc23)cc1)c1ccccc1
InChIInChI=1S/C47H33N3/c1-31(33-11-4-3-5-12-33)48-32(2)34-19-21-36(22-20-34)40-17-10-14-38-26-30-44(49-46(38)40)37-23-27-39(28-24-37)50-45-18-9-8-16-42(45)43-29-25-35-13-6-7-15-41(35)47(43)50/h3-30H,1H2,2H3/b48-32+
InChIKeyFBJZELPLXJMPSH-QKWQYVPCSA-N
XLogP12.30
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.30
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

12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109509
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
N'-(1-phenylethenyl)-N-[1-[4-(3-thia-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaen-11-yl)phenyl]ethylidene]benzenecarboximidamide
CID 144605832
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
11-[4-[4-[4-[8-[4-(1-adamantyl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzo[a]carbazole
CID 177283076
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole
CID 90324605

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine?
The IUPAC name of 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine (CID 142621830) is 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine.
What is the SMILES notation for 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine?
The canonical SMILES for 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine is C=C(/N=C(\C)c1ccc(-c2cccc3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)nc23)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine?
The InChIKey is FBJZELPLXJMPSH-QKWQYVPCSA-N. The full InChI is InChI=1S/C47H33N3/c1-31(33-11-4-3-5-12-33)48-32(2)34-19-21-36(22-20-34)40-17-10-14-38-26-30-44(49-46(38)40)37-23-27-39(28-24-37)50-45-18-9-8-16-42(45)43-29-25-35-13-6-7-15-41(35)47(43)50/h3-30H,1H2,2H3/b48-32+.
What are the key properties of 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine?
1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine has a molecular weight of 639.80 g/mol, XLogP of 12.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-benzo[a]carbazol-11-ylphenyl)quinolin-8-yl]phenyl]-N-(1-phenylethenyl)ethanimine is sourced from PubChem (CID 142621830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).