N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

C70H47N — CID 169062474

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C70H47N/c1-3-16-55(17-4-1)69-67-24-12-11-23-65(67)66-45-38-59(47-68(66)70(69)56-18-5-2-6-19-56)52-36-43-62(44-37-52)71(61-41-34-51(35-42-61)58-31-28-48-14-7-8-20-57(48)46-58)60-39-32-50(33-40-60)49-26-29-54(30-27-49)64-25-13-21-53-15-9-10-22-63(53)64/h1-47H
InChIKeyLYLLSVRHBUSOPT-UHFFFAOYSA-N
MW902.15 g/mol
LogP19.77
Rot. Bonds9

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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 169062474) has the molecular formula C70H47N and a molecular weight of 902.15 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID169062474
Molecular FormulaC70H47N
Molecular Weight902.15 g/mol
Exact Mass901.37
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C70H47N/c1-3-16-55(17-4-1)69-67-24-12-11-23-65(67)66-45-38-59(47-68(66)70(69)56-18-5-2-6-19-56)52-36-43-62(44-37-52)71(61-41-34-51(35-42-61)58-31-28-48-14-7-8-20-57(48)46-58)60-39-32-50(33-40-60)49-26-29-54(30-27-49)64-25-13-21-53-15-9-10-22-63(53)64/h1-47H
InChIKeyLYLLSVRHBUSOPT-UHFFFAOYSA-N
XLogP19.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.15
LogP ≤ 519.77
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

4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
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
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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 158939837
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 169062474) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is LYLLSVRHBUSOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N/c1-3-16-55(17-4-1)69-67-24-12-11-23-65(67)66-45-38-59(47-68(66)70(69)56-18-5-2-6-19-56)52-36-43-62(44-37-52)71(61-41-34-51(35-42-61)58-31-28-48-14-7-8-20-57(48)46-58)60-39-32-50(33-40-60)49-26-29-54(30-27-49)64-25-13-21-53-15-9-10-22-63(53)64/h1-47H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 902.15 g/mol, XLogP of 19.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 169062474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).