9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C54H40N2O — CID 146330126

IUPAC9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccc6ccc7c(c6c5c4)NC(c4ccccc4)O7)cc3)cc21
InChIInChI=1S/C54H40N2O/c1-54(2)48-16-10-9-15-45(48)46-31-30-44(34-49(46)54)56(42-26-21-36(22-27-42)35-11-5-3-6-12-35)43-28-23-37(24-29-43)41-20-18-38-17-19-39-25-32-50-52(51(39)47(38)33-41)55-53(57-50)40-13-7-4-8-14-40/h3-34,53,55H,1-2H3
InChIKeyBXSZHIKRPMECKY-UHFFFAOYSA-N
MW732.93 g/mol
LogP14.61
Rot. Bonds6

About 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 146330126) has the molecular formula C54H40N2O and a molecular weight of 732.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID146330126
Molecular FormulaC54H40N2O
Molecular Weight732.93 g/mol
Exact Mass732.31
IUPAC Name9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccc6ccc7c(c6c5c4)NC(c4ccccc4)O7)cc3)cc21
InChIInChI=1S/C54H40N2O/c1-54(2)48-16-10-9-15-45(48)46-31-30-44(34-49(46)54)56(42-26-21-36(22-27-42)35-11-5-3-6-12-35)43-28-23-37(24-29-43)41-20-18-38-17-19-39-25-32-50-52(51(39)47(38)33-41)55-53(57-50)40-13-7-4-8-14-40/h3-34,53,55H,1-2H3
InChIKeyBXSZHIKRPMECKY-UHFFFAOYSA-N
XLogP14.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 514.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazol-8-yl)phenyl]-N-(2-phenylphenyl)fluoren-3-amine
CID 170424699
9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine
CID 146330050
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 174319615
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668
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-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 146330126) is 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccc6ccc7c(c6c5c4)NC(c4ccccc4)O7)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is BXSZHIKRPMECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O/c1-54(2)48-16-10-9-15-45(48)46-31-30-44(34-49(46)54)56(42-26-21-36(22-27-42)35-11-5-3-6-12-35)43-28-23-37(24-29-43)41-20-18-38-17-19-39-25-32-50-52(51(39)47(38)33-41)55-53(57-50)40-13-7-4-8-14-40/h3-34,53,55H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 732.93 g/mol, XLogP of 14.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 146330126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).