9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C53H39N — CID 166566462

IUPAC9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)cc21
InChIInChI=1S/C53H39N/c1-53(2)51-23-13-12-22-48(51)49-33-32-42(35-52(49)53)54(40-28-24-37(25-29-40)36-14-4-3-5-15-36)41-30-26-38(27-31-41)43-17-8-9-20-46(43)50-34-39-16-6-7-18-44(39)45-19-10-11-21-47(45)50/h3-35H,1-2H3
InChIKeyPFHQPTPILVUXHP-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166566462) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166566462
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)cc21
InChIInChI=1S/C53H39N/c1-53(2)51-23-13-12-22-48(51)49-33-32-42(35-52(49)53)54(40-28-24-37(25-29-40)36-14-4-3-5-15-36)41-30-26-38(27-31-41)43-17-8-9-20-46(43)50-34-39-16-6-7-18-44(39)45-19-10-11-21-47(45)50/h3-35H,1-2H3
InChIKeyPFHQPTPILVUXHP-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

9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
CID 134464892
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 166566462) is 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PFHQPTPILVUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)51-23-13-12-22-48(51)49-33-32-42(35-52(49)53)54(40-28-24-37(25-29-40)36-14-4-3-5-15-36)41-30-26-38(27-31-41)43-17-8-9-20-46(43)50-34-39-16-6-7-18-44(39)45-19-10-11-21-47(45)50/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-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 9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).