4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline

C57H41N — CID 144857237

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline
SMILESC1=CCC2C(=C1)C(c1ccc(-c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc1)c1cc3ccccc3cc12
InChIInChI=1S/C57H41N/c1-3-13-40(14-4-1)42-25-29-48(30-26-42)57(55-22-12-11-21-53(55)54-38-45-17-9-10-18-46(45)39-56(54)57)49-31-35-52(36-32-49)58(50-19-5-2-6-20-50)51-33-27-43(28-34-51)47-24-23-41-15-7-8-16-44(41)37-47/h1-20,22-39,53H,21H2
InChIKeyILTVHNNQSGKLRI-UHFFFAOYSA-N
MW739.96 g/mol
LogP15.11
Rot. Bonds7

About 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline

4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline (PubChem CID 144857237) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline
PubChem CID144857237
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline
SMILESC1=CCC2C(=C1)C(c1ccc(-c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc1)c1cc3ccccc3cc12
InChIInChI=1S/C57H41N/c1-3-13-40(14-4-1)42-25-29-48(30-26-42)57(55-22-12-11-21-53(55)54-38-45-17-9-10-18-46(45)39-56(54)57)49-31-35-52(36-32-49)58(50-19-5-2-6-20-50)51-33-27-43(28-34-51)47-24-23-41-15-7-8-16-44(41)37-47/h1-20,22-39,53H,21H2
InChIKeyILTVHNNQSGKLRI-UHFFFAOYSA-N
XLogP15.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
CID 71249416
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]aniline
CID 129230929
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline (CID 144857237) is 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline is C1=CCC2C(=C1)C(c1ccc(-c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc1)c1cc3ccccc3cc12.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline?
The InChIKey is ILTVHNNQSGKLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-3-13-40(14-4-1)42-25-29-48(30-26-42)57(55-22-12-11-21-53(55)54-38-45-17-9-10-18-46(45)39-56(54)57)49-31-35-52(36-32-49)58(50-19-5-2-6-20-50)51-33-27-43(28-34-51)47-24-23-41-15-7-8-16-44(41)37-47/h1-20,22-39,53H,21H2.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline?
4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline has a molecular weight of 739.96 g/mol, XLogP of 15.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline is sourced from PubChem (CID 144857237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).