3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C54H35N3 — CID 167219651

IUPAC3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)55-47-21-10-7-18-42(47)45-34-38(28-32-50(45)55)39-29-33-51-46(35-39)43-19-8-11-22-48(43)57(51)53-25-13-24-52-54(53)44-20-9-12-23-49(44)56(52)40-16-5-2-6-17-40/h1-35H
InChIKeyKRWJEFBOUKQJLA-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 167219651) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID167219651
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)55-47-21-10-7-18-42(47)45-34-38(28-32-50(45)55)39-29-33-51-46(35-39)43-19-8-11-22-48(43)57(51)53-25-13-24-52-54(53)44-20-9-12-23-49(44)56(52)40-16-5-2-6-17-40/h1-35H
InChIKeyKRWJEFBOUKQJLA-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-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-[3-(4-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-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-[4-(3-carbazol-9-ylphenyl)phenyl]-14-(3-phenylphenyl)-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 158065664
3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
CID 149305333
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 167219651) is 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is KRWJEFBOUKQJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)55-47-21-10-7-18-42(47)45-34-38(28-32-50(45)55)39-29-33-51-46(35-39)43-19-8-11-22-48(43)57(51)53-25-13-24-52-54(53)44-20-9-12-23-49(44)56(52)40-16-5-2-6-17-40/h1-35H.
What are the key properties of 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 167219651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).