5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole

C58H36N6 — CID 130353680

IUPAC5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1cnc2nccc(-c3ccc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccc(-c9ccnc%10ncccc9%10)cc8)cc7)c56)cc4)cc3)c2c1
InChIInChI=1S/C58H36N6/c1-3-11-52-47(7-1)48-29-30-54-55(56(48)64(52)44-27-23-40(24-28-44)38-15-19-42(20-16-38)46-32-36-62-58-50(46)10-6-34-60-58)51-8-2-4-12-53(51)63(54)43-25-21-39(22-26-43)37-13-17-41(18-14-37)45-31-35-61-57-49(45)9-5-33-59-57/h1-36H
InChIKeyDCGPVKQQPATACY-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.44
Rot. Bonds6

About 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole

5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 130353680) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole
PubChem CID130353680
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1cnc2nccc(-c3ccc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccc(-c9ccnc%10ncccc9%10)cc8)cc7)c56)cc4)cc3)c2c1
InChIInChI=1S/C58H36N6/c1-3-11-52-47(7-1)48-29-30-54-55(56(48)64(52)44-27-23-40(24-28-44)38-15-19-42(20-16-38)46-32-36-62-58-50(46)10-6-34-60-58)51-8-2-4-12-53(51)63(54)43-25-21-39(22-26-43)37-13-17-41(18-14-37)45-31-35-61-57-49(45)9-5-33-59-57/h1-36H
InChIKeyDCGPVKQQPATACY-UHFFFAOYSA-N
XLogP14.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
5-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole
CID 157474478
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole (CID 130353680) is 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole is c1cnc2nccc(-c3ccc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccc(-c9ccnc%10ncccc9%10)cc8)cc7)c56)cc4)cc3)c2c1.
What is the InChIKey of 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is DCGPVKQQPATACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c1-3-11-52-47(7-1)48-29-30-54-55(56(48)64(52)44-27-23-40(24-28-44)38-15-19-42(20-16-38)46-32-36-62-58-50(46)10-6-34-60-58)51-8-2-4-12-53(51)63(54)43-25-21-39(22-26-43)37-13-17-41(18-14-37)45-31-35-61-57-49(45)9-5-33-59-57/h1-36H.
What are the key properties of 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole?
5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 816.97 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[4-[4-(1,8-naphthyridin-4-yl)phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 130353680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).