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

C54H35N3 — CID 170374188

IUPAC2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cccc54)c3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-14-36(15-3-1)37-28-30-38(31-29-37)39-16-12-17-40(34-39)56-50-25-11-7-21-46(50)54-51(56)26-13-27-52(54)57-49-24-10-6-20-44(49)45-33-32-41(35-53(45)57)55-47-22-8-4-18-42(47)43-19-5-9-23-48(43)55/h1-35H
InChIKeyMHNXRFDCVUDUBZ-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

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

2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole (PubChem CID 170374188) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
PubChem CID170374188
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cccc54)c3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-14-36(15-3-1)37-28-30-38(31-29-37)39-16-12-17-40(34-39)56-50-25-11-7-21-46(50)54-51(56)26-13-27-52(54)57-49-24-10-6-20-44(49)45-33-32-41(35-53(45)57)55-47-22-8-4-18-42(47)43-19-5-9-23-48(43)55/h1-35H
InChIKeyMHNXRFDCVUDUBZ-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
6-carbazol-9-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9,14-triphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 157256630
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
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
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588896
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole (CID 170374188) is 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cccc54)c3)cc2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
The InChIKey is MHNXRFDCVUDUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-14-36(15-3-1)37-28-30-38(31-29-37)39-16-12-17-40(34-39)56-50-25-11-7-21-46(50)54-51(56)26-13-27-52(54)57-49-24-10-6-20-44(49)45-33-32-41(35-53(45)57)55-47-22-8-4-18-42(47)43-19-5-9-23-48(43)55/h1-35H.
What are the key properties of 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole?
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]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 2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole is sourced from PubChem (CID 170374188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).