9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole

C29H22N2 — CID 140607078

IUPAC9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2nccc3ccccc23)c1
InChIInChI=1S/C29H22N2/c1-19-10-12-27-25(16-19)26-17-20(2)11-13-28(26)31(27)23-8-5-7-22(18-23)29-24-9-4-3-6-21(24)14-15-30-29/h3-18H,1-2H3
InChIKeyKHXCWJBCHNJCDO-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.62
Rot. Bonds2

About 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole

9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole (PubChem CID 140607078) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
PubChem CID140607078
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2nccc3ccccc23)c1
InChIInChI=1S/C29H22N2/c1-19-10-12-27-25(16-19)26-17-20(2)11-13-28(26)31(27)23-8-5-7-22(18-23)29-24-9-4-3-6-21(24)14-15-30-29/h3-18H,1-2H3
InChIKeyKHXCWJBCHNJCDO-UHFFFAOYSA-N
XLogP7.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-(3-isoquinolin-1-ylphenyl)phenyl]carbazole
CID 59512962
11-(3-isoquinolin-1-ylphenyl)-3,8-dimethyl-5,6-dihydrobenzo[b][1]benzazepine
CID 140607034
10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
CID 129290243
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane
CID 140617424
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58875995
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
CID 158632518
12-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 144517431
12-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326449

Frequently Asked Questions

What is the IUPAC name of 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole (CID 140607078) is 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2nccc3ccccc23)c1.
What is the InChIKey of 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole?
The InChIKey is KHXCWJBCHNJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-19-10-12-27-25(16-19)26-17-20(2)11-13-28(26)31(27)23-8-5-7-22(18-23)29-24-9-4-3-6-21(24)14-15-30-29/h3-18H,1-2H3.
What are the key properties of 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole?
9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole has a molecular weight of 398.51 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 140607078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).