1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone

C43H29N3O — CID 137466561

IUPAC1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C43H29N3O/c1-28(47)33-17-10-20-41-43(33)36-27-31(23-25-40(36)46(41)42-21-11-18-37(44-42)29-12-4-2-5-13-29)30-22-24-39-35(26-30)34-16-8-9-19-38(34)45(39)32-14-6-3-7-15-32/h2-27H,1H3
InChIKeyHSDAEPATJZQPEV-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.81
Rot. Bonds5

About 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone

1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone (PubChem CID 137466561) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone
PubChem CID137466561
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C43H29N3O/c1-28(47)33-17-10-20-41-43(33)36-27-31(23-25-40(36)46(41)42-21-11-18-37(44-42)29-12-4-2-5-13-29)30-22-24-39-35(26-30)34-16-8-9-19-38(34)45(39)32-14-6-3-7-15-32/h2-27H,1H3
InChIKeyHSDAEPATJZQPEV-UHFFFAOYSA-N
XLogP10.81
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
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
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
9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
CID 165167529
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
5-phenyl-12-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole;12-phenyl-5-[3-[5-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-12-yl]phenyl]indolo[3,2-c]carbazole;5-(6-phenyl-2-pyridinyl)-12-[3-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 160727594
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone?
The IUPAC name of 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone (CID 137466561) is 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone.
What is the SMILES notation for 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone?
The canonical SMILES for 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone is CC(=O)c1cccc2c1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1cccc(-c2ccccc2)n1.
What is the InChIKey of 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone?
The InChIKey is HSDAEPATJZQPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-28(47)33-17-10-20-41-43(33)36-27-31(23-25-40(36)46(41)42-21-11-18-37(44-42)29-12-4-2-5-13-29)30-22-24-39-35(26-30)34-16-8-9-19-38(34)45(39)32-14-6-3-7-15-32/h2-27H,1H3.
What are the key properties of 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone?
1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone has a molecular weight of 603.73 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(9-phenylcarbazol-3-yl)-9-(6-phenyl-2-pyridinyl)carbazol-4-yl]ethanone is sourced from PubChem (CID 137466561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).