3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole

C46H33N3 — CID 147320703

IUPAC3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
SMILESCc1cccnc1-c1cccc(-c2ccc3c(ccc4c5ccc(-c6cccc(-c7ncccc7C)c6)cc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C46H33N3/c1-30-10-8-24-47-44(30)37-14-6-12-32(27-37)34-18-21-40-36(26-34)20-23-42-41-22-19-35(29-43(41)49(46(40)42)39-16-4-3-5-17-39)33-13-7-15-38(28-33)45-31(2)11-9-25-48-45/h3-29H,1-2H3
InChIKeyCZSWFHYNTQZJOW-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.01
Rot. Bonds5

About 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole

3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole (PubChem CID 147320703) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
PubChem CID147320703
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
SMILESCc1cccnc1-c1cccc(-c2ccc3c(ccc4c5ccc(-c6cccc(-c7ncccc7C)c6)cc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C46H33N3/c1-30-10-8-24-47-44(30)37-14-6-12-32(27-37)34-18-21-40-36(26-34)20-23-42-41-22-19-35(29-43(41)49(46(40)42)39-16-4-3-5-17-39)33-13-7-15-38(28-33)45-31(2)11-9-25-48-45/h3-29H,1-2H3
InChIKeyCZSWFHYNTQZJOW-UHFFFAOYSA-N
XLogP12.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,5,5-tetramethyl-2-[3-[11-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]benzo[a]carbazol-9-yl]phenyl]-1,3-thiazole
CID 135250175
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
CID 142621940
9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole
CID 163658571
8-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326359
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole (CID 147320703) is 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole is Cc1cccnc1-c1cccc(-c2ccc3c(ccc4c5ccc(-c6cccc(-c7ncccc7C)c6)cc5n(-c5ccccc5)c34)c2)c1.
What is the InChIKey of 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole?
The InChIKey is CZSWFHYNTQZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-30-10-8-24-47-44(30)37-14-6-12-32(27-37)34-18-21-40-36(26-34)20-23-42-41-22-19-35(29-43(41)49(46(40)42)39-16-4-3-5-17-39)33-13-7-15-38(28-33)45-31(2)11-9-25-48-45/h3-29H,1-2H3.
What are the key properties of 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole?
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole has a molecular weight of 627.79 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 147320703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).