N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline

C74H51N — CID 169063252

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H51N/c1-6-18-52(19-7-1)54-30-32-55(33-31-54)56-34-42-64(43-35-56)75(66-46-38-59(39-47-66)67-48-40-62(53-20-8-2-9-21-53)50-71(67)58-22-10-3-11-23-58)65-44-36-57(37-45-65)63-41-49-69-68-28-16-17-29-70(68)73(60-24-12-4-13-25-60)74(72(69)51-63)61-26-14-5-15-27-61/h1-51H
InChIKeyHDHMNRNJXMQCRB-UHFFFAOYSA-N
MW954.23 g/mol
LogP20.80
Rot. Bonds11

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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 169063252) has the molecular formula C74H51N and a molecular weight of 954.23 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID169063252
Molecular FormulaC74H51N
Molecular Weight954.23 g/mol
Exact Mass953.40
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H51N/c1-6-18-52(19-7-1)54-30-32-55(33-31-54)56-34-42-64(43-35-56)75(66-46-38-59(39-47-66)67-48-40-62(53-20-8-2-9-21-53)50-71(67)58-22-10-3-11-23-58)65-44-36-57(37-45-65)63-41-49-69-68-28-16-17-29-70(68)73(60-24-12-4-13-25-60)74(72(69)51-63)61-26-14-5-15-27-61/h1-51H
InChIKeyHDHMNRNJXMQCRB-UHFFFAOYSA-N
XLogP20.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.23
LogP ≤ 520.80
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]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063649
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
CID 169062930
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-(3,4-diphenylphenyl)-2,6-diphenylaniline
CID 169062709
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline (CID 169063252) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is HDHMNRNJXMQCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N/c1-6-18-52(19-7-1)54-30-32-55(33-31-54)56-34-42-64(43-35-56)75(66-46-38-59(39-47-66)67-48-40-62(53-20-8-2-9-21-53)50-71(67)58-22-10-3-11-23-58)65-44-36-57(37-45-65)63-41-49-69-68-28-16-17-29-70(68)73(60-24-12-4-13-25-60)74(72(69)51-63)61-26-14-5-15-27-61/h1-51H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 954.23 g/mol, XLogP of 20.80, 11 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]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 169063252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).