N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C69H47N — CID 155305163

IUPACN-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4c(-c5ccccc5-c5ccccc5)c5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C69H47N/c1-4-20-48(21-5-1)49-36-38-50(39-37-49)51-40-44-55(45-41-51)70(56-46-42-54(43-47-56)69(53-24-8-3-9-25-53)65-34-18-16-29-60(65)61-30-17-19-35-66(61)69)68-64-33-15-12-28-59(64)58-27-11-14-32-63(58)67(68)62-31-13-10-26-57(62)52-22-6-2-7-23-52/h1-47H
InChIKeyCIHWPZUZUOYNLY-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155305163) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155305163
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC NameN-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4c(-c5ccccc5-c5ccccc5)c5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C69H47N/c1-4-20-48(21-5-1)49-36-38-50(39-37-49)51-40-44-55(45-41-51)70(56-46-42-54(43-47-56)69(53-24-8-3-9-25-53)65-34-18-16-29-60(65)61-30-17-19-35-66(61)69)68-64-33-15-12-28-59(64)58-27-11-14-32-63(58)67(68)62-31-13-10-26-57(62)52-22-6-2-7-23-52/h1-47H
InChIKeyCIHWPZUZUOYNLY-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-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303863
N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155305027
10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304496
10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304543
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-[4-[5-[10-[N-(9,9-diphenylfluoren-3-yl)-4-(4-phenylphenyl)anilino]phenanthren-9-yl]naphthalen-2-yl]phenyl]phenyl]-3-phenylphenyl]-10-naphthalen-2-ylphenanthren-9-amine
CID 155305461
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine
CID 129026222
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155305163) is N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4c(-c5ccccc5-c5ccccc5)c5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is CIHWPZUZUOYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-4-20-48(21-5-1)49-36-38-50(39-37-49)51-40-44-55(45-41-51)70(56-46-42-54(43-47-56)69(53-24-8-3-9-25-53)65-34-18-16-29-60(65)61-30-17-19-35-66(61)69)68-64-33-15-12-28-59(64)58-27-11-14-32-63(58)67(68)62-31-13-10-26-57(62)52-22-6-2-7-23-52/h1-47H.
What are the key properties of N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-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-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155305163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).