5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole

C51H35N3 — CID 90057414

IUPAC5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C51H35N3/c1-51(2)42-22-12-9-19-35(42)39-30-41-40-29-34(25-27-46(40)52(48(41)31-43(39)51)32-15-5-3-6-16-32)53-45-24-14-11-21-38(45)49-47(53)28-26-37-36-20-10-13-23-44(36)54(50(37)49)33-17-7-4-8-18-33/h3-31H,1-2H3
InChIKeyJARVKTZFBRJRGP-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.28
Rot. Bonds3

About 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole

5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 90057414) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
PubChem CID90057414
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C51H35N3/c1-51(2)42-22-12-9-19-35(42)39-30-41-40-29-34(25-27-46(40)52(48(41)31-43(39)51)32-15-5-3-6-16-32)53-45-24-14-11-21-38(45)49-47(53)28-26-37-36-20-10-13-23-44(36)54(50(37)49)33-17-7-4-8-18-33/h3-31H,1-2H3
InChIKeyJARVKTZFBRJRGP-UHFFFAOYSA-N
XLogP13.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
15-(4-carbazol-9-ylphenyl)-11,11-dimethyl-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,25,27-tridecaene
CID 163787935
9-(4-carbazol-9-ylphenyl)-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-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-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-phenyl-14-(9-phenylcarbazol-3-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 158410726
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
11,11-dimethyl-15-(9-phenylcarbazol-3-yl)-18,25-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2,4(12),5,7,9,13,17(26),19,21,23,27-dodecaene
CID 134175779
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole (CID 90057414) is 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is JARVKTZFBRJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)42-22-12-9-19-35(42)39-30-41-40-29-34(25-27-46(40)52(48(41)31-43(39)51)32-15-5-3-6-16-32)53-45-24-14-11-21-38(45)49-47(53)28-26-37-36-20-10-13-23-44(36)54(50(37)49)33-17-7-4-8-18-33/h3-31H,1-2H3.
What are the key properties of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole?
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 689.86 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 90057414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).