3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline

C56H41N — CID 144907604

IUPAC3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)CC(c4ccccc4)c4ccccc4-5)cc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C56H41N/c1-4-16-40(17-5-1)44-22-14-24-49(37-44)57(50-25-15-23-45(38-50)41-18-6-2-7-19-41)48-33-30-43(31-34-48)51-26-10-11-27-52(51)46-32-35-53-47(36-46)39-56(42-20-8-3-9-21-42)55-29-13-12-28-54(53)55/h1-38,56H,39H2
InChIKeyRYHQABZZJUMJFN-UHFFFAOYSA-N
MW727.95 g/mol
LogP15.18
Rot. Bonds8

About 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline

3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 144907604) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
PubChem CID144907604
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC Name3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)CC(c4ccccc4)c4ccccc4-5)cc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C56H41N/c1-4-16-40(17-5-1)44-22-14-24-49(37-44)57(50-25-15-23-45(38-50)41-18-6-2-7-19-41)48-33-30-43(31-34-48)51-26-10-11-27-52(51)46-32-35-53-47(36-46)39-56(42-20-8-3-9-21-42)55-29-13-12-28-54(53)55/h1-38,56H,39H2
InChIKeyRYHQABZZJUMJFN-UHFFFAOYSA-N
XLogP15.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
7-N,7-N-diphenyl-2-N-(10-phenyl-9,10-dihydrophenanthren-3-yl)-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 154955324
N-[9,9-dimethyl-7-(9-phenyl-9,10-dihydrophenanthren-3-yl)fluoren-2-yl]-N-(4-phenylphenyl)phenanthren-3-amine
CID 137427337
4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline
CID 146663017
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline (CID 144907604) is 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)CC(c4ccccc4)c4ccccc4-5)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is RYHQABZZJUMJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-4-16-40(17-5-1)44-22-14-24-49(37-44)57(50-25-15-23-45(38-50)41-18-6-2-7-19-41)48-33-30-43(31-34-48)51-26-10-11-27-52(51)46-32-35-53-47(36-46)39-56(42-20-8-3-9-21-42)55-29-13-12-28-54(53)55/h1-38,56H,39H2.
What are the key properties of 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 727.95 g/mol, XLogP of 15.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 144907604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).