N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

C69H47N — CID 167234200

IUPACN-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C69H47N/c1-4-19-48(20-5-1)49-37-39-50(40-38-49)51-41-44-57(45-42-51)70(66-36-18-35-65-68(66)63-31-14-15-34-64(63)69(65,55-25-6-2-7-26-55)56-27-8-3-9-28-56)67-47-54(60-32-16-23-52-21-10-12-29-58(52)60)43-46-62(67)61-33-17-24-53-22-11-13-30-59(53)61/h1-47H
InChIKeyOCCPOUCHLSMSER-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 167234200) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID167234200
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC NameN-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C69H47N/c1-4-19-48(20-5-1)49-37-39-50(40-38-49)51-41-44-57(45-42-51)70(66-36-18-35-65-68(66)63-31-14-15-34-64(63)69(65,55-25-6-2-7-26-55)56-27-8-3-9-28-56)67-47-54(60-32-16-23-52-21-10-12-29-58(52)60)43-46-62(67)61-33-17-24-53-22-11-13-30-59(53)61/h1-47H
InChIKeyOCCPOUCHLSMSER-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.14
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 171451830
5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304711
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355194
N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 167234200) is N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is OCCPOUCHLSMSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-4-19-48(20-5-1)49-37-39-50(40-38-49)51-41-44-57(45-42-51)70(66-36-18-35-65-68(66)63-31-14-15-34-64(63)69(65,55-25-6-2-7-26-55)56-27-8-3-9-28-56)67-47-54(60-32-16-23-52-21-10-12-29-58(52)60)43-46-62(67)61-33-17-24-53-22-11-13-30-59(53)61/h1-47H.
What are the key properties of N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 890.14 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 167234200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).