5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

C69H48N2 — CID 90337279

IUPAC5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21
InChIInChI=1S/C69H48N2/c1-69(2)63-29-17-15-27-57(63)59-43-62-61-42-50(32-34-67(61)71(68(62)44-64(59)69)56-39-53(47-23-11-5-12-24-47)36-54(40-56)48-25-13-6-14-26-48)49-31-33-66-60(41-49)58-28-16-18-30-65(58)70(66)55-37-51(45-19-7-3-8-20-45)35-52(38-55)46-21-9-4-10-22-46/h3-44H,1-2H3
InChIKeyQDPJFNUWYXLQLB-UHFFFAOYSA-N
MW905.16 g/mol
LogP18.52
Rot. Bonds7

About 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 90337279) has the molecular formula C69H48N2 and a molecular weight of 905.16 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID90337279
Molecular FormulaC69H48N2
Molecular Weight905.16 g/mol
Exact Mass904.38
IUPAC Name5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21
InChIInChI=1S/C69H48N2/c1-69(2)63-29-17-15-27-57(63)59-43-62-61-42-50(32-34-67(61)71(68(62)44-64(59)69)56-39-53(47-23-11-5-12-24-47)36-54(40-56)48-25-13-6-14-26-48)49-31-33-66-60(41-49)58-28-16-18-30-65(58)70(66)55-37-51(45-19-7-3-8-20-45)35-52(38-55)46-21-9-4-10-22-46/h3-44H,1-2H3
InChIKeyQDPJFNUWYXLQLB-UHFFFAOYSA-N
XLogP18.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.16
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
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
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 90337279) is 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21.
What is the InChIKey of 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is QDPJFNUWYXLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N2/c1-69(2)63-29-17-15-27-57(63)59-43-62-61-42-50(32-34-67(61)71(68(62)44-64(59)69)56-39-53(47-23-11-5-12-24-47)36-54(40-56)48-25-13-6-14-26-48)49-31-33-66-60(41-49)58-28-16-18-30-65(58)70(66)55-37-51(45-19-7-3-8-20-45)35-52(38-55)46-21-9-4-10-22-46/h3-44H,1-2H3.
What are the key properties of 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 905.16 g/mol, XLogP of 18.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 90337279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).