14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine

C39H30N2O — CID 170656393

IUPAC14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
SMILESCC1(C)c2ccccc2N2c3ccccc3Oc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c1c32
InChIInChI=1S/C39H30N2O/c1-39(2)31-17-9-10-18-32(31)41-33-19-11-12-20-35(33)42-36-26-25-34(37(39)38(36)41)40(29-15-7-4-8-16-29)30-23-21-28(22-24-30)27-13-5-3-6-14-27/h3-26H,1-2H3
InChIKeyRYRGRLTYBMUDDF-UHFFFAOYSA-N
MW542.68 g/mol
LogP11.04
Rot. Bonds4

About 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine

14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine (PubChem CID 170656393) has the molecular formula C39H30N2O and a molecular weight of 542.68 g/mol. Its IUPAC name is 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine.

Molecular Properties

Compound Name14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
PubChem CID170656393
Molecular FormulaC39H30N2O
Molecular Weight542.68 g/mol
Exact Mass542.24
IUPAC Name14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
SMILESCC1(C)c2ccccc2N2c3ccccc3Oc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c1c32
InChIInChI=1S/C39H30N2O/c1-39(2)31-17-9-10-18-32(31)41-33-19-11-12-20-35(33)42-36-26-25-34(37(39)38(36)41)40(29-15-7-4-8-16-29)30-23-21-28(22-24-30)27-13-5-3-6-14-27/h3-26H,1-2H3
InChIKeyRYRGRLTYBMUDDF-UHFFFAOYSA-N
XLogP11.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-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

14,14-dimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656655
14,14-dimethyl-N,N,4-triphenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656245
14,14-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656648
18,18-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-yl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19,21,23-undecaen-16-amine
CID 170656461
4-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N,N-diphenylaniline
CID 170656809
14,14-dimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656714
3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 170657015
14,14-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-yl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656962
3,14,14-trimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-16-amine
CID 170656518
3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170656822
14,14-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170656255
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170656216

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine?
The IUPAC name of 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine (CID 170656393) is 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine.
What is the SMILES notation for 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine?
The canonical SMILES for 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine is CC1(C)c2ccccc2N2c3ccccc3Oc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c1c32.
What is the InChIKey of 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine?
The InChIKey is RYRGRLTYBMUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O/c1-39(2)31-17-9-10-18-32(31)41-33-19-11-12-20-35(33)42-36-26-25-34(37(39)38(36)41)40(29-15-7-4-8-16-29)30-23-21-28(22-24-30)27-13-5-3-6-14-27/h3-26H,1-2H3.
What are the key properties of 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine?
14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine has a molecular weight of 542.68 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine is sourced from PubChem (CID 170656393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).