N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine

C69H47N — CID 169065245

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H47N/c1-7-24-48(25-8-1)52-42-45-64(60(46-52)49-26-9-2-10-27-49)70(65-41-23-40-63-68(65)59-38-21-22-39-62(59)69(63,53-32-15-5-16-33-53)54-34-17-6-18-35-54)55-43-44-57-56-36-19-20-37-58(56)66(50-28-11-3-12-29-50)67(61(57)47-55)51-30-13-4-14-31-51/h1-47H
InChIKeyCBIMAIQLRHXFKN-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine

N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169065245) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169065245
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H47N/c1-7-24-48(25-8-1)52-42-45-64(60(46-52)49-26-9-2-10-27-49)70(65-41-23-40-63-68(65)59-38-21-22-39-62(59)69(63,53-32-15-5-16-33-53)54-34-17-6-18-35-54)55-43-44-57-56-36-19-20-37-58(56)66(50-28-11-3-12-29-50)67(61(57)47-55)51-30-13-4-14-31-51/h1-47H
InChIKeyCBIMAIQLRHXFKN-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

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]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 169062933
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-4-amine
CID 169063685
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169065217
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 121423349
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169061887
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
CID 169065379
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169065431
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169062873
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 169061855
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
N-(9,9-diphenylfluoren-4-yl)-N-[4-[3-[10-[N-(9,9-diphenylfluoren-4-yl)-4-[4-[3-[10-(N-(9,9-diphenylfluoren-4-yl)-3-phenylanilino)phenanthren-9-yl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-10-phenylphenanthren-9-amine
CID 155305136

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169065245) is N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is CBIMAIQLRHXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-7-24-48(25-8-1)52-42-45-64(60(46-52)49-26-9-2-10-27-49)70(65-41-23-40-63-68(65)59-38-21-22-39-62(59)69(63,53-32-15-5-16-33-53)54-34-17-6-18-35-54)55-43-44-57-56-36-19-20-37-58(56)66(50-28-11-3-12-29-50)67(61(57)47-55)51-30-13-4-14-31-51/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-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-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169065245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).