2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole

C54H37N3 — CID 170372272

IUPAC2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESC1=Cc2c(c3cc(-n4c5ccccc5c5ccccc54)ccc3n2-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3c2)CC1
InChIInChI=1S/C54H37N3/c1-2-14-36(15-3-1)37-16-12-17-38(32-37)39-18-13-19-40(33-39)57-51-26-10-6-22-45(51)47-30-28-42(35-54(47)57)56-52-27-11-7-23-46(52)48-34-41(29-31-53(48)56)55-49-24-8-4-20-43(49)44-21-5-9-25-50(44)55/h1-6,8-22,24-35H,7,23H2
InChIKeyPQJPAOJWVNRART-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.12
Rot. Bonds5

About 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole

2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole (PubChem CID 170372272) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
PubChem CID170372272
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESC1=Cc2c(c3cc(-n4c5ccccc5c5ccccc54)ccc3n2-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3c2)CC1
InChIInChI=1S/C54H37N3/c1-2-14-36(15-3-1)37-16-12-17-38(32-37)39-18-13-19-40(33-39)57-51-26-10-6-22-45(51)47-30-28-42(35-54(47)57)56-52-27-11-7-23-46(52)48-34-41(29-31-53(48)56)55-49-24-8-4-20-43(49)44-21-5-9-25-50(44)55/h1-6,8-22,24-35H,7,23H2
InChIKeyPQJPAOJWVNRART-UHFFFAOYSA-N
XLogP14.12
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 166922681
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole (CID 170372272) is 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole is C1=Cc2c(c3cc(-n4c5ccccc5c5ccccc54)ccc3n2-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3c2)CC1.
What is the InChIKey of 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is PQJPAOJWVNRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-2-14-36(15-3-1)37-16-12-17-38(32-37)39-18-13-19-40(33-39)57-51-26-10-6-22-45(51)47-30-28-42(35-54(47)57)56-52-27-11-7-23-46(52)48-34-41(29-31-53(48)56)55-49-24-8-4-20-43(49)44-21-5-9-25-50(44)55/h1-6,8-22,24-35H,7,23H2.
What are the key properties of 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 727.91 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 170372272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).