N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine

C47H35NO — CID 170779001

IUPACN-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
SMILESCC(C)(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccc4cc5oc6ccccc6c5cc4c3c2)c1
InChIInChI=1S/C47H35NO/c1-47(2,36-14-7-4-8-15-36)37-16-11-17-39(29-37)48(38-25-22-33(23-26-38)32-12-5-3-6-13-32)40-27-24-34-20-21-35-28-46-44(31-43(35)42(34)30-40)41-18-9-10-19-45(41)49-46/h3-31H,1-2H3
InChIKeyUGLHPIFRUKQYAP-UHFFFAOYSA-N
MW629.80 g/mol
LogP13.36
Rot. Bonds6

About N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine

N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine (PubChem CID 170779001) has the molecular formula C47H35NO and a molecular weight of 629.80 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
PubChem CID170779001
Molecular FormulaC47H35NO
Molecular Weight629.80 g/mol
Exact Mass629.27
IUPAC NameN-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
SMILESCC(C)(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccc4cc5oc6ccccc6c5cc4c3c2)c1
InChIInChI=1S/C47H35NO/c1-47(2,36-14-7-4-8-15-36)37-16-11-17-39(29-37)48(38-25-22-33(23-26-38)32-12-5-3-6-13-32)40-27-24-34-20-21-35-28-46-44(31-43(35)42(34)30-40)41-18-9-10-19-45(41)49-46/h3-31H,1-2H3
InChIKeyUGLHPIFRUKQYAP-UHFFFAOYSA-N
XLogP13.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.80
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171607675
N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171607647
N-(6-phenylnaphthalen-2-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779368
N-[4-(2,4-diphenylphenyl)phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766273
N-phenyl-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779110
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-3-N-phenanthren-9-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 170779449
N-[4-(3,4-diphenylphenyl)-3-phenylphenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766295
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766371
N-(2,4-diphenylphenyl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779551
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779528
3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(3-phenylphenyl)benzene-1,3-diamine
CID 170779241

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine (CID 170779001) is N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine is CC(C)(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccc4cc5oc6ccccc6c5cc4c3c2)c1.
What is the InChIKey of N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The InChIKey is UGLHPIFRUKQYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NO/c1-47(2,36-14-7-4-8-15-36)37-16-11-17-39(29-37)48(38-25-22-33(23-26-38)32-12-5-3-6-13-32)40-27-24-34-20-21-35-28-46-44(31-43(35)42(34)30-40)41-18-9-10-19-45(41)49-46/h3-31H,1-2H3.
What are the key properties of N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine has a molecular weight of 629.80 g/mol, XLogP of 13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[3-(2-phenylpropan-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine is sourced from PubChem (CID 170779001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).