N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine

C50H39N — CID 164929570

IUPACN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C50H39N/c1-49(2)43-19-11-9-17-40(43)41-28-27-38(31-45(41)49)51(37-25-23-33(24-26-37)35-22-21-32-13-5-6-14-34(32)29-35)46-30-36-15-7-8-16-39(36)48-47(46)42-18-10-12-20-44(42)50(48,3)4/h5-31H,1-4H3
InChIKeyNJPCCYRZQGLNAE-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine (PubChem CID 164929570) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
PubChem CID164929570
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C50H39N/c1-49(2)43-19-11-9-17-40(43)41-28-27-38(31-45(41)49)51(37-25-23-33(24-26-37)35-22-21-32-13-5-6-14-34(32)29-35)46-30-36-15-7-8-16-39(36)48-47(46)42-18-10-12-20-44(42)50(48,3)4/h5-31H,1-4H3
InChIKeyNJPCCYRZQGLNAE-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929594
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163620727
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[c]fluoren-4-amine
CID 146364512
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine (CID 164929570) is N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
The InChIKey is NJPCCYRZQGLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-49(2)43-19-11-9-17-40(43)41-28-27-38(31-45(41)49)51(37-25-23-33(24-26-37)35-22-21-32-13-5-6-14-34(32)29-35)46-30-36-15-7-8-16-39(36)48-47(46)42-18-10-12-20-44(42)50(48,3)4/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine has a molecular weight of 653.87 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).