4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C64H43N — CID 169063324

IUPAC4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C64H43N/c1-3-17-49(18-4-1)63-61-26-12-11-25-59(61)60-42-35-51(43-62(60)64(63)50-19-5-2-6-20-50)44-29-36-52(37-30-44)65(53-38-31-47(32-39-53)57-27-13-21-45-15-7-9-23-55(45)57)54-40-33-48(34-41-54)58-28-14-22-46-16-8-10-24-56(46)58/h1-43H
InChIKeyDFJDAXMPZFDWAW-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

About 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 169063324) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID169063324
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C64H43N/c1-3-17-49(18-4-1)63-61-26-12-11-25-59(61)60-42-35-51(43-62(60)64(63)50-19-5-2-6-20-50)44-29-36-52(37-30-44)65(53-38-31-47(32-39-53)57-27-13-21-45-15-7-9-23-55(45)57)54-40-33-48(34-41-54)58-28-14-22-46-16-8-10-24-56(46)58/h1-43H
InChIKeyDFJDAXMPZFDWAW-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
CID 155305413
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 169063324) is 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is DFJDAXMPZFDWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-3-17-49(18-4-1)63-61-26-12-11-25-59(61)60-42-35-51(43-62(60)64(63)50-19-5-2-6-20-50)44-29-36-52(37-30-44)65(53-38-31-47(32-39-53)57-27-13-21-45-15-7-9-23-55(45)57)54-40-33-48(34-41-54)58-28-14-22-46-16-8-10-24-56(46)58/h1-43H.
What are the key properties of 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 169063324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).