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

C68H45N — CID 169062894

IUPACN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C68H45N/c1-3-18-50(19-4-1)67-63-29-14-12-27-60(63)61-42-39-55(44-64(61)68(67)51-20-5-2-6-21-51)58-25-15-16-30-65(58)69(66-45-54-23-9-10-24-57(54)59-26-11-13-28-62(59)66)56-40-37-48(38-41-56)47-31-33-49(34-32-47)53-36-35-46-17-7-8-22-52(46)43-53/h1-45H
InChIKeyMFAGMMKGQFYLAB-UHFFFAOYSA-N
MW876.12 g/mol
LogP19.26
Rot. Bonds8

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

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine (PubChem CID 169062894) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
PubChem CID169062894
Molecular FormulaC68H45N
Molecular Weight876.12 g/mol
Exact Mass875.36
IUPAC NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C68H45N/c1-3-18-50(19-4-1)67-63-29-14-12-27-60(63)61-42-39-55(44-64(61)68(67)51-20-5-2-6-21-51)58-25-15-16-30-65(58)69(66-45-54-23-9-10-24-57(54)59-26-11-13-28-62(59)66)56-40-37-48(38-41-56)47-31-33-49(34-32-47)53-36-35-46-17-7-8-22-52(46)43-53/h1-45H
InChIKeyMFAGMMKGQFYLAB-UHFFFAOYSA-N
XLogP19.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 519.26
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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 169063864
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 169062597
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 169064515
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 169063529
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 169064123
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine (CID 169062894) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is MFAGMMKGQFYLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-3-18-50(19-4-1)67-63-29-14-12-27-60(63)61-42-39-55(44-64(61)68(67)51-20-5-2-6-21-51)58-25-15-16-30-65(58)69(66-45-54-23-9-10-24-57(54)59-26-11-13-28-62(59)66)56-40-37-48(38-41-56)47-31-33-49(34-32-47)53-36-35-46-17-7-8-22-52(46)43-53/h1-45H.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine?
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 876.12 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 169062894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).