5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole

C54H35N3 — CID 134168773

IUPAC5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)c5)ccc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-29-41(30-27-37)55-48-23-10-8-21-44(48)47-35-39(28-32-51(47)55)38-16-13-19-42(34-38)57-49-24-11-7-20-43(49)45-31-33-52-53(54(45)57)46-22-9-12-25-50(46)56(52)40-17-5-2-6-18-40/h1-35H
InChIKeyJCRBOHCWVRMNGW-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole

5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 134168773) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID134168773
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)c5)ccc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-29-41(30-27-37)55-48-23-10-8-21-44(48)47-35-39(28-32-51(47)55)38-16-13-19-42(34-38)57-49-24-11-7-20-43(49)45-31-33-52-53(54(45)57)46-22-9-12-25-50(46)56(52)40-17-5-2-6-18-40/h1-35H
InChIKeyJCRBOHCWVRMNGW-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

12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831309

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole (CID 134168773) is 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)c5)ccc43)cc2)cc1.
What is the InChIKey of 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is JCRBOHCWVRMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-14-36(15-4-1)37-26-29-41(30-27-37)55-48-23-10-8-21-44(48)47-35-39(28-32-51(47)55)38-16-13-19-42(34-38)57-49-24-11-7-20-43(49)45-31-33-52-53(54(45)57)46-22-9-12-25-50(46)56(52)40-17-5-2-6-18-40/h1-35H.
What are the key properties of 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]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 5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 134168773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).