11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine

C51H37N — CID 164774857

IUPAC11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H37N/c1-51(2)48-27-26-44(33-47(48)46-30-38-16-8-9-17-39(38)31-49(46)51)52(43-24-22-36(23-25-43)34-12-4-3-5-13-34)50-32-42(29-41-18-10-11-19-45(41)50)40-21-20-35-14-6-7-15-37(35)28-40/h3-33H,1-2H3
InChIKeyONBDNOXJPQFLKZ-UHFFFAOYSA-N
MW663.86 g/mol
LogP14.26
Rot. Bonds5

About 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine

11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine (PubChem CID 164774857) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
PubChem CID164774857
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H37N/c1-51(2)48-27-26-44(33-47(48)46-30-38-16-8-9-17-39(38)31-49(46)51)52(43-24-22-36(23-25-43)34-12-4-3-5-13-34)50-32-42(29-41-18-10-11-19-45(41)50)40-21-20-35-14-6-7-15-37(35)28-40/h3-33H,1-2H3
InChIKeyONBDNOXJPQFLKZ-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164774904
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
3-N-(10,10-dimethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052168
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(3-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;11,11-dimethyl-N-(3-naphthalen-1-ylnaphthalen-2-yl)-N-phenylbenzo[a]fluoren-8-amine;11,11-dimethyl-N-(2-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[a]fluoren-8-amine;11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 165060566
N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164774715
10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
CID 170410839
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenanthren-9-ylbenzo[b]fluoren-3-amine
CID 165014887
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
The IUPAC name of 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine (CID 164774857) is 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine.
What is the SMILES notation for 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
The canonical SMILES for 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
The InChIKey is ONBDNOXJPQFLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)48-27-26-44(33-47(48)46-30-38-16-8-9-17-39(38)31-49(46)51)52(43-24-22-36(23-25-43)34-12-4-3-5-13-34)50-32-42(29-41-18-10-11-19-45(41)50)40-21-20-35-14-6-7-15-37(35)28-40/h3-33H,1-2H3.
What are the key properties of 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine has a molecular weight of 663.86 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 164774857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).