N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C75H52FN3 — CID 58161607

IUPACN-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(F)cc5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C75H52FN3/c1-75(2)68-46-53(60-27-17-28-65-61(60)43-44-66-72(51-20-9-4-10-21-51)73(52-22-11-5-12-23-52)79(74(65)66)57-37-33-54(76)34-38-57)32-41-62(68)63-42-39-59(48-69(63)75)77(56-35-30-50(31-36-56)49-18-7-3-8-19-49)58-40-45-71-67(47-58)64-26-15-16-29-70(64)78(71)55-24-13-6-14-25-55/h3-48H,1-2H3
InChIKeyYLRBPGPXGDMZEA-UHFFFAOYSA-N
MW1014.26 g/mol
LogP20.46
Rot. Bonds9

About N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 58161607) has the molecular formula C75H52FN3 and a molecular weight of 1014.26 g/mol. Its IUPAC name is N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID58161607
Molecular FormulaC75H52FN3
Molecular Weight1014.26 g/mol
Exact Mass1013.41
IUPAC NameN-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(F)cc5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C75H52FN3/c1-75(2)68-46-53(60-27-17-28-65-61(60)43-44-66-72(51-20-9-4-10-21-51)73(52-22-11-5-12-23-52)79(74(65)66)57-37-33-54(76)34-38-57)32-41-62(68)63-42-39-59(48-69(63)75)77(56-35-30-50(31-36-56)49-18-7-3-8-19-49)58-40-45-71-67(47-58)64-26-15-16-29-70(64)78(71)55-24-13-6-14-25-55/h3-48H,1-2H3
InChIKeyYLRBPGPXGDMZEA-UHFFFAOYSA-N
XLogP20.46
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.26
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 58161607) is N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is CC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(F)cc5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is YLRBPGPXGDMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52FN3/c1-75(2)68-46-53(60-27-17-28-65-61(60)43-44-66-72(51-20-9-4-10-21-51)73(52-22-11-5-12-23-52)79(74(65)66)57-37-33-54(76)34-38-57)32-41-62(68)63-42-39-59(48-69(63)75)77(56-35-30-50(31-36-56)49-18-7-3-8-19-49)58-40-45-71-67(47-58)64-26-15-16-29-70(64)78(71)55-24-13-6-14-25-55/h3-48H,1-2H3.
What are the key properties of N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 1014.26 g/mol, XLogP of 20.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 58161607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).