4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline

C42H31N — CID 146663017

IUPAC4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C(c3cccc5ccccc35)C4)cc2)cc1
InChIInChI=1S/C42H31N/c1-3-14-34(15-4-1)43(35-16-5-2-6-17-35)36-26-24-30(25-27-36)32-22-23-33-29-42(40-20-10-9-19-39(40)41(33)28-32)38-21-11-13-31-12-7-8-18-37(31)38/h1-28,42H,29H2
InChIKeyRFBWSBFLELBVOR-UHFFFAOYSA-N
MW549.72 g/mol
LogP11.33
Rot. Bonds5

About 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline

4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline (PubChem CID 146663017) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline
PubChem CID146663017
Molecular FormulaC42H31N
Molecular Weight549.72 g/mol
Exact Mass549.25
IUPAC Name4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C(c3cccc5ccccc35)C4)cc2)cc1
InChIInChI=1S/C42H31N/c1-3-14-34(15-4-1)43(35-16-5-2-6-17-35)36-26-24-30(25-27-36)32-22-23-33-29-42(40-20-10-9-19-39(40)41(33)28-32)38-21-11-13-31-12-7-8-18-37(31)38/h1-28,42H,29H2
InChIKeyRFBWSBFLELBVOR-UHFFFAOYSA-N
XLogP11.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[9,9-dimethyl-7-(9-phenyl-9,10-dihydrophenanthren-3-yl)fluoren-2-yl]-N-(4-phenylphenyl)phenanthren-3-amine
CID 137427337
5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 166895509
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 144907604
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028

Frequently Asked Questions

What is the IUPAC name of 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline (CID 146663017) is 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C(c3cccc5ccccc35)C4)cc2)cc1.
What is the InChIKey of 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline?
The InChIKey is RFBWSBFLELBVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c1-3-14-34(15-4-1)43(35-16-5-2-6-17-35)36-26-24-30(25-27-36)32-22-23-33-29-42(40-20-10-9-19-39(40)41(33)28-32)38-21-11-13-31-12-7-8-18-37(31)38/h1-28,42H,29H2.
What are the key properties of 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline?
4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline has a molecular weight of 549.72 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 146663017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).