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

C54H41N — CID 118428490

IUPACN-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc2-3)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H41N/c1-36-17-28-44(29-18-36)55(53-34-43-13-7-8-14-46(43)47-15-9-10-16-50(47)53)45-30-32-49-48-31-27-42(33-51(48)54(2,3)52(49)35-45)41-25-23-40(24-26-41)39-21-19-38(20-22-39)37-11-5-4-6-12-37/h4-35H,1-3H3
InChIKeyFPUGXOMAEZRTAS-UHFFFAOYSA-N
MW703.93 g/mol
LogP15.08
Rot. Bonds6

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

N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine (PubChem CID 118428490) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
PubChem CID118428490
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc2-3)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H41N/c1-36-17-28-44(29-18-36)55(53-34-43-13-7-8-14-46(43)47-15-9-10-16-50(47)53)45-30-32-49-48-31-27-42(33-51(48)54(2,3)52(49)35-45)41-25-23-40(24-26-41)39-21-19-38(20-22-39)37-11-5-4-6-12-37/h4-35H,1-3H3
InChIKeyFPUGXOMAEZRTAS-UHFFFAOYSA-N
XLogP15.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 515.08
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-phenylphenanthren-9-amine
CID 118428477
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
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
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
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-dimethylfluoren-2-yl)-N-(4-methylphenyl)phenanthren-9-amine;9,9-dimethyl-N-(4-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine;9,9-dimethyl-N-(4-methylphenyl)-N-(2-phenylphenyl)fluoren-2-amine;4-methyl-N,N-bis(4-phenylphenyl)aniline
CID 158535588
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-(4-methylphenyl)phenanthren-9-amine?
The IUPAC name of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine (CID 118428490) is N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc2-3)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
The InChIKey is FPUGXOMAEZRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-36-17-28-44(29-18-36)55(53-34-43-13-7-8-14-46(43)47-15-9-10-16-50(47)53)45-30-32-49-48-31-27-42(33-51(48)54(2,3)52(49)35-45)41-25-23-40(24-26-41)39-21-19-38(20-22-39)37-11-5-4-6-12-37/h4-35H,1-3H3.
What are the key properties of N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine?
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine has a molecular weight of 703.93 g/mol, XLogP of 15.08, 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-(4-methylphenyl)phenanthren-9-amine is sourced from PubChem (CID 118428490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).