4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole

C44H34N2 — CID 144734436

IUPAC4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole
SMILESC/C=C\c1c(-c2cccc(-c3cccc(C)n3)c2)cc2c(c1C)c1ccc(-c3cccc4ccccc34)cc1n2-c1ccccc1
InChIInChI=1S/C44H34N2/c1-4-13-36-30(3)44-39-25-24-33(38-22-12-16-31-15-8-9-21-37(31)38)27-42(39)46(35-19-6-5-7-20-35)43(44)28-40(36)32-17-11-18-34(26-32)41-23-10-14-29(2)45-41/h4-28H,1-3H3/b13-4-
InChIKeyIENLTGHHAKQWDK-PQMHYQBVSA-N
MW590.77 g/mol
LogP11.98
Rot. Bonds5

About 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole

4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole (PubChem CID 144734436) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole.

Molecular Properties

Compound Name4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole
PubChem CID144734436
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole
SMILESC/C=C\c1c(-c2cccc(-c3cccc(C)n3)c2)cc2c(c1C)c1ccc(-c3cccc4ccccc34)cc1n2-c1ccccc1
InChIInChI=1S/C44H34N2/c1-4-13-36-30(3)44-39-25-24-33(38-22-12-16-31-15-8-9-21-37(31)38)27-42(39)46(35-19-6-5-7-20-35)43(44)28-40(36)32-17-11-18-34(26-32)41-23-10-14-29(2)45-41/h4-28H,1-3H3/b13-4-
InChIKeyIENLTGHHAKQWDK-PQMHYQBVSA-N
XLogP11.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(6-methyl-2-pyridinyl)phenyl]-9-naphthalen-2-yl-7-phenylbenzo[c]carbazole
CID 118895360
9-[3-(2-methylphenyl)phenyl]-7-phenylbenzo[c]carbazole
CID 90175676
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123267685
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434620
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
2-(8-methylnaphthalen-1-yl)-9-phenylcarbazole
CID 170093624
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 159950438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole?
The IUPAC name of 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole (CID 144734436) is 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole.
What is the SMILES notation for 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole?
The canonical SMILES for 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole is C/C=C\c1c(-c2cccc(-c3cccc(C)n3)c2)cc2c(c1C)c1ccc(-c3cccc4ccccc34)cc1n2-c1ccccc1.
What is the InChIKey of 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole?
The InChIKey is IENLTGHHAKQWDK-PQMHYQBVSA-N. The full InChI is InChI=1S/C44H34N2/c1-4-13-36-30(3)44-39-25-24-33(38-22-12-16-31-15-8-9-21-37(31)38)27-42(39)46(35-19-6-5-7-20-35)43(44)28-40(36)32-17-11-18-34(26-32)41-23-10-14-29(2)45-41/h4-28H,1-3H3/b13-4-.
What are the key properties of 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole?
4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole has a molecular weight of 590.77 g/mol, XLogP of 11.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(6-methyl-2-pyridinyl)phenyl]-7-naphthalen-1-yl-9-phenyl-3-[(Z)-prop-1-enyl]carbazole is sourced from PubChem (CID 144734436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).