5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole

C42H31N3 — CID 90055319

IUPAC5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5c(n4-c4ccc(-n6c7ccccc7c7ccccc76)cc4)CCCC5)c32)cc1
InChIInChI=1S/C42H31N3/c1-2-12-28(13-3-1)45-38-20-10-6-16-33(38)34-26-27-40-41(42(34)45)35-17-7-11-21-39(35)44(40)30-24-22-29(23-25-30)43-36-18-8-4-14-31(36)32-15-5-9-19-37(32)43/h1-6,8-10,12-16,18-20,22-27H,7,11,17,21H2
InChIKeyDPUSYOANCNQZGM-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.70
Rot. Bonds3

About 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole

5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole (PubChem CID 90055319) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
PubChem CID90055319
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5c(n4-c4ccc(-n6c7ccccc7c7ccccc76)cc4)CCCC5)c32)cc1
InChIInChI=1S/C42H31N3/c1-2-12-28(13-3-1)45-38-20-10-6-16-33(38)34-26-27-40-41(42(34)45)35-17-7-11-21-39(35)44(40)30-24-22-29(23-25-30)43-36-18-8-4-14-31(36)32-15-5-9-19-37(32)43/h1-6,8-10,12-16,18-20,22-27H,7,11,17,21H2
InChIKeyDPUSYOANCNQZGM-UHFFFAOYSA-N
XLogP10.70
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

14-(3-carbazol-9-ylphenyl)-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055350
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
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
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055339
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
12-phenyl-5-(5-phenylpyrimidin-2-yl)-8,9,10,11-tetrahydroindolo[3,2-c]carbazole
CID 90055395
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-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 170394033
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole (CID 90055319) is 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5c(n4-c4ccc(-n6c7ccccc7c7ccccc76)cc4)CCCC5)c32)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole?
The InChIKey is DPUSYOANCNQZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-2-12-28(13-3-1)45-38-20-10-6-16-33(38)34-26-27-40-41(42(34)45)35-17-7-11-21-39(35)44(40)30-24-22-29(23-25-30)43-36-18-8-4-14-31(36)32-15-5-9-19-37(32)43/h1-6,8-10,12-16,18-20,22-27H,7,11,17,21H2.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole?
5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole has a molecular weight of 577.73 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole is sourced from PubChem (CID 90055319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).