N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine

C53H39N — CID 118428477

IUPACN-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H39N/c1-53(2)50-33-41(40-27-25-39(26-28-40)38-23-21-37(22-24-38)36-13-5-3-6-14-36)29-31-47(50)48-32-30-44(35-51(48)53)54(43-16-7-4-8-17-43)52-34-42-15-9-10-18-45(42)46-19-11-12-20-49(46)52/h3-35H,1-2H3
InChIKeyPRQCJIPQEVLPCH-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine

N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine (PubChem CID 118428477) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
PubChem CID118428477
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC NameN-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H39N/c1-53(2)50-33-41(40-27-25-39(26-28-40)38-23-21-37(22-24-38)36-13-5-3-6-14-36)29-31-47(50)48-32-30-44(35-51(48)53)54(43-16-7-4-8-17-43)52-34-42-15-9-10-18-45(42)46-19-11-12-20-49(46)52/h3-35H,1-2H3
InChIKeyPRQCJIPQEVLPCH-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
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-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
CID 170410839
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine?
The IUPAC name of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine (CID 118428477) is N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine?
The InChIKey is PRQCJIPQEVLPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)50-33-41(40-27-25-39(26-28-40)38-23-21-37(22-24-38)36-13-5-3-6-14-36)29-31-47(50)48-32-30-44(35-51(48)53)54(43-16-7-4-8-17-43)52-34-42-15-9-10-18-45(42)46-19-11-12-20-49(46)52/h3-35H,1-2H3.
What are the key properties of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine?
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 118428477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).