12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole

C61H44N4 — CID 170206685

IUPAC12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole
SMILESCC1CC=Cc2c1n(-c1cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c1)c1cc3c(cc21)N(c1ccccc1)C1C=CC=CC31
InChIInChI=1S/C61H44N4/c1-39-18-17-28-49-53-38-57-52(48-27-13-14-29-54(48)62(57)42-21-7-3-8-22-42)37-58(53)65(59(39)49)45-35-41(40-19-5-2-6-20-40)34-44(36-45)64-56-31-16-12-26-47(56)51-33-32-50-46-25-11-15-30-55(46)63(60(50)61(51)64)43-23-9-4-10-24-43/h2-17,19-39,48,54H,18H2,1H3
InChIKeyGCMQLMAEGZFQBV-UHFFFAOYSA-N
MW833.05 g/mol
LogP15.74
Rot. Bonds5

About 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole

12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 170206685) has the molecular formula C61H44N4 and a molecular weight of 833.05 g/mol. Its IUPAC name is 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID170206685
Molecular FormulaC61H44N4
Molecular Weight833.05 g/mol
Exact Mass832.36
IUPAC Name12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole
SMILESCC1CC=Cc2c1n(-c1cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c1)c1cc3c(cc21)N(c1ccccc1)C1C=CC=CC31
InChIInChI=1S/C61H44N4/c1-39-18-17-28-49-53-38-57-52(48-27-13-14-29-54(48)62(57)42-21-7-3-8-22-42)37-58(53)65(59(39)49)45-35-41(40-19-5-2-6-20-40)34-44(36-45)64-56-31-16-12-26-47(56)51-33-32-50-46-25-11-15-30-55(46)63(60(50)61(51)64)43-23-9-4-10-24-43/h2-17,19-39,48,54H,18H2,1H3
InChIKeyGCMQLMAEGZFQBV-UHFFFAOYSA-N
XLogP15.74
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.05
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163836477
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
22-(5-methyl-5,6-dihydrophenanthren-9-yl)-8-(4-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301367
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene
CID 121355649
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid
CID 163561656

Frequently Asked Questions

What is the IUPAC name of 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole (CID 170206685) is 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole is CC1CC=Cc2c1n(-c1cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c1)c1cc3c(cc21)N(c1ccccc1)C1C=CC=CC31.
What is the InChIKey of 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is GCMQLMAEGZFQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4/c1-39-18-17-28-49-53-38-57-52(48-27-13-14-29-54(48)62(57)42-21-7-3-8-22-42)37-58(53)65(59(39)49)45-35-41(40-19-5-2-6-20-40)34-44(36-45)64-56-31-16-12-26-47(56)51-33-32-50-46-25-11-15-30-55(46)63(60(50)61(51)64)43-23-9-4-10-24-43/h2-17,19-39,48,54H,18H2,1H3.
What are the key properties of 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole?
12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 833.05 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 170206685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).