N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine

C67H45N — CID 167236384

IUPACN-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H45N/c1-4-18-48(19-5-1)60-42-38-53(52-33-31-46-17-10-11-21-50(46)43-52)45-65(60)68(57-39-35-47(36-40-57)51-37-41-59-54(44-51)34-32-49-20-12-13-26-58(49)59)64-30-16-29-63-66(64)61-27-14-15-28-62(61)67(63,55-22-6-2-7-23-55)56-24-8-3-9-25-56/h1-45H
InChIKeyZINPJYZRJLTEHV-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.98
Rot. Bonds8

About N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 167236384) has the molecular formula C67H45N and a molecular weight of 864.10 g/mol. Its IUPAC name is N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID167236384
Molecular FormulaC67H45N
Molecular Weight864.10 g/mol
Exact Mass863.36
IUPAC NameN-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H45N/c1-4-18-48(19-5-1)60-42-38-53(52-33-31-46-17-10-11-21-50(46)43-52)45-65(60)68(57-39-35-47(36-40-57)51-37-41-59-54(44-51)34-32-49-20-12-13-26-58(49)59)64-30-16-29-63-66(64)61-27-14-15-28-62(61)67(63,55-22-6-2-7-23-55)56-24-8-3-9-25-56/h1-45H
InChIKeyZINPJYZRJLTEHV-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.98
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-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019649
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine
CID 167247224
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873

Frequently Asked Questions

What is the IUPAC name of N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 167236384) is N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is ZINPJYZRJLTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N/c1-4-18-48(19-5-1)60-42-38-53(52-33-31-46-17-10-11-21-50(46)43-52)45-65(60)68(57-39-35-47(36-40-57)51-37-41-59-54(44-51)34-32-49-20-12-13-26-58(49)59)64-30-16-29-63-66(64)61-27-14-15-28-62(61)67(63,55-22-6-2-7-23-55)56-24-8-3-9-25-56/h1-45H.
What are the key properties of N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 864.10 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 167236384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).