3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole

C47H31N3 — CID 126764108

IUPAC3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc43)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-13-32(14-4-1)42-21-12-24-47(48-42)50-44-23-10-8-20-39(44)41-31-36(26-28-46(41)50)34-16-11-15-33(29-34)35-25-27-45-40(30-35)38-19-7-9-22-43(38)49(45)37-17-5-2-6-18-37/h1-31H
InChIKeyGZZILKQBLQQJBT-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole

3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole (PubChem CID 126764108) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
PubChem CID126764108
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc43)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-13-32(14-4-1)42-21-12-24-47(48-42)50-44-23-10-8-20-39(44)41-31-36(26-28-46(41)50)34-16-11-15-33(29-34)35-25-27-45-40(30-35)38-19-7-9-22-43(38)49(45)37-17-5-2-6-18-37/h1-31H
InChIKeyGZZILKQBLQQJBT-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
CID 165167529
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
9,14-bis[6-(3-phenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;9-[6-(3-phenylphenyl)-2-pyridinyl]-14-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158884122
1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone
CID 137466561
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
11-(6-carbazol-9-yl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;5-(3-dibenzothiophen-2-ylphenyl)-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole;5-phenyl-11-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 160662637
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole (CID 126764108) is 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc43)n2)cc1.
What is the InChIKey of 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole?
The InChIKey is GZZILKQBLQQJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-13-32(14-4-1)42-21-12-24-47(48-42)50-44-23-10-8-20-39(44)41-31-36(26-28-46(41)50)34-16-11-15-33(29-34)35-25-27-45-40(30-35)38-19-7-9-22-43(38)49(45)37-17-5-2-6-18-37/h1-31H.
What are the key properties of 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole?
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 126764108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).