N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine

C60H43N — CID 170373098

IUPACN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)cc3ccccc3c21
InChIInChI=1S/C60H43N/c1-59(2)53-35-31-43(40-18-6-3-7-19-40)37-52(53)57-56(38-44-22-14-15-27-49(44)58(57)59)61(47-32-30-41-20-12-13-21-42(41)36-47)48-33-34-51-50-28-16-17-29-54(50)60(55(51)39-48,45-23-8-4-9-24-45)46-25-10-5-11-26-46/h3-39H,1-2H3
InChIKeyIVPCRYCILBFGJO-UHFFFAOYSA-N
MW778.01 g/mol
LogP15.80
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine (PubChem CID 170373098) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
PubChem CID170373098
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)cc3ccccc3c21
InChIInChI=1S/C60H43N/c1-59(2)53-35-31-43(40-18-6-3-7-19-40)37-52(53)57-56(38-44-22-14-15-27-49(44)58(57)59)61(47-32-30-41-20-12-13-21-42(41)36-47)48-33-34-51-50-28-16-17-29-54(50)60(55(51)39-48,45-23-8-4-9-24-45)46-25-10-5-11-26-46/h3-39H,1-2H3
InChIKeyIVPCRYCILBFGJO-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170373487
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929573
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163620727
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine (CID 170373098) is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine is CC1(C)c2ccc(-c3ccccc3)cc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)cc3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine?
The InChIKey is IVPCRYCILBFGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-59(2)53-35-31-43(40-18-6-3-7-19-40)37-52(53)57-56(38-44-22-14-15-27-49(44)58(57)59)61(47-32-30-41-20-12-13-21-42(41)36-47)48-33-34-51-50-28-16-17-29-54(50)60(55(51)39-48,45-23-8-4-9-24-45)46-25-10-5-11-26-46/h3-39H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine?
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine has a molecular weight of 778.01 g/mol, XLogP of 15.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 170373098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).