5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole

C51H36N2 — CID 171414844

IUPAC5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c34)c21
InChIInChI=1S/C51H36N2/c1-51(2)43-25-9-6-21-38(43)40-24-14-28-47(49(40)51)53-45-27-11-8-23-42(45)48-46(53)30-29-41-39-22-7-10-26-44(39)52(50(41)48)37-20-13-19-36(32-37)35-18-12-17-34(31-35)33-15-4-3-5-16-33/h3-32H,1-2H3
InChIKeyZLJYZIHZMTXRJO-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.52
Rot. Bonds4

About 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole

5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 171414844) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID171414844
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c34)c21
InChIInChI=1S/C51H36N2/c1-51(2)43-25-9-6-21-38(43)40-24-14-28-47(49(40)51)53-45-27-11-8-23-42(45)48-46(53)30-29-41-39-22-7-10-26-44(39)52(50(41)48)37-20-13-19-36(32-37)35-18-12-17-34(31-35)33-15-4-3-5-16-33/h3-32H,1-2H3
InChIKeyZLJYZIHZMTXRJO-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 158997353
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole (CID 171414844) is 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c34)c21.
What is the InChIKey of 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is ZLJYZIHZMTXRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)43-25-9-6-21-38(43)40-24-14-28-47(49(40)51)53-45-27-11-8-23-42(45)48-46(53)30-29-41-39-22-7-10-26-44(39)52(50(41)48)37-20-13-19-36(32-37)35-18-12-17-34(31-35)33-15-4-3-5-16-33/h3-32H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 676.86 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 171414844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).