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

C78H56FN3 — CID 58161680

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(F)cc7)c56)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C78H56FN3/c1-77(2)68-29-16-14-25-60(68)62-40-36-56(47-70(62)77)80(55-38-44-73-67(46-55)64-26-15-17-30-72(64)81(73)53-23-12-7-13-24-53)57-37-41-63-61-39-31-51(45-69(61)78(3,4)71(63)48-57)58-27-18-28-65-59(58)42-43-66-74(49-19-8-5-9-20-49)75(50-21-10-6-11-22-50)82(76(65)66)54-34-32-52(79)33-35-54/h5-48H,1-4H3
InChIKeyQWBRGPAZFUHJCU-UHFFFAOYSA-N
MW1054.33 g/mol
LogP21.10
Rot. Bonds8

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

N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine (PubChem CID 58161680) has the molecular formula C78H56FN3 and a molecular weight of 1054.33 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
PubChem CID58161680
Molecular FormulaC78H56FN3
Molecular Weight1054.33 g/mol
Exact Mass1053.45
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(F)cc7)c56)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C78H56FN3/c1-77(2)68-29-16-14-25-60(68)62-40-36-56(47-70(62)77)80(55-38-44-73-67(46-55)64-26-15-17-30-72(64)81(73)53-23-12-7-13-24-53)57-37-41-63-61-39-31-51(45-69(61)78(3,4)71(63)48-57)58-27-18-28-65-59(58)42-43-66-74(49-19-8-5-9-20-49)75(50-21-10-6-11-22-50)82(76(65)66)54-34-32-52(79)33-35-54/h5-48H,1-4H3
InChIKeyQWBRGPAZFUHJCU-UHFFFAOYSA-N
XLogP21.10
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.33
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine (CID 58161680) is N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(F)cc7)c56)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The InChIKey is QWBRGPAZFUHJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56FN3/c1-77(2)68-29-16-14-25-60(68)62-40-36-56(47-70(62)77)80(55-38-44-73-67(46-55)64-26-15-17-30-72(64)81(73)53-23-12-7-13-24-53)57-37-41-63-61-39-31-51(45-69(61)78(3,4)71(63)48-57)58-27-18-28-65-59(58)42-43-66-74(49-19-8-5-9-20-49)75(50-21-10-6-11-22-50)82(76(65)66)54-34-32-52(79)33-35-54/h5-48H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine has a molecular weight of 1054.33 g/mol, XLogP of 21.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58161680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).