N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

C47H35N — CID 139430695

IUPACN-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C47H35N/c1-47(2)43-19-11-10-18-42(43)46-44(47)31-37-14-8-9-17-41(37)45(46)34-24-28-40(29-25-34)48(38-15-4-3-5-16-38)39-26-22-33(23-27-39)36-21-20-32-12-6-7-13-35(32)30-36/h3-31H,1-2H3
InChIKeySFWNSNCCTPHVST-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 139430695) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
PubChem CID139430695
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC NameN-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C47H35N/c1-47(2)43-19-11-10-18-42(43)46-44(47)31-37-14-8-9-17-41(37)45(46)34-24-28-40(29-25-34)48(38-15-4-3-5-16-38)39-26-22-33(23-27-39)36-21-20-32-12-6-7-13-35(32)30-36/h3-31H,1-2H3
InChIKeySFWNSNCCTPHVST-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161038802
N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 177079849
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
2,5,8,11-tetrakis(11,11-dimethylbenzo[b]fluoren-5-yl)perylene
CID 58435360
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
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-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine
CID 167232369
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929594
N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (CID 139430695) is N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is SFWNSNCCTPHVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)43-19-11-10-18-42(43)46-44(47)31-37-14-8-9-17-41(37)45(46)34-24-28-40(29-25-34)48(38-15-4-3-5-16-38)39-26-22-33(23-27-39)36-21-20-32-12-6-7-13-35(32)30-36/h3-31H,1-2H3.
What are the key properties of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 139430695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).