N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline

C52H40N2O — CID 170656188

IUPACN,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline
SMILESCc1cccc2c1N1c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C52H40N2O/c1-35-13-10-21-48-50(35)54-47-32-27-41(34-46(47)52(2,3)45-20-12-22-49(55-48)51(45)54)40-18-11-19-44(33-40)53(42-28-23-38(24-29-42)36-14-6-4-7-15-36)43-30-25-39(26-31-43)37-16-8-5-9-17-37/h4-34H,1-3H3
InChIKeyQALCTUOGCJYRQH-UHFFFAOYSA-N
MW708.91 g/mol
LogP14.68
Rot. Bonds6

About N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline

N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline (PubChem CID 170656188) has the molecular formula C52H40N2O and a molecular weight of 708.91 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline
PubChem CID170656188
Molecular FormulaC52H40N2O
Molecular Weight708.91 g/mol
Exact Mass708.31
IUPAC NameN,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline
SMILESCc1cccc2c1N1c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C52H40N2O/c1-35-13-10-21-48-50(35)54-47-32-27-41(34-46(47)52(2,3)45-20-12-22-49(55-48)51(45)54)40-18-11-19-44(33-40)53(42-28-23-38(24-29-42)36-14-6-4-7-15-36)43-30-25-39(26-31-43)37-16-8-5-9-17-37/h4-34H,1-3H3
InChIKeyQALCTUOGCJYRQH-UHFFFAOYSA-N
XLogP14.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline 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

N-(4-phenylphenyl)-N-[4-(3,14,14-trimethyl-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-yl)phenyl]naphthalen-1-amine
CID 170656499
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(3,14,14-trimethyl-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-yl)phenyl]fluoren-2-amine
CID 170656402
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
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
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-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170656581
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
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954
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-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-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)phenyl]fluoren-2-amine
CID 170656574

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline?
The IUPAC name of N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline (CID 170656188) is N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline?
The canonical SMILES for N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline is Cc1cccc2c1N1c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc3C(C)(C)c3cccc(c31)O2.
What is the InChIKey of N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline?
The InChIKey is QALCTUOGCJYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O/c1-35-13-10-21-48-50(35)54-47-32-27-41(34-46(47)52(2,3)45-20-12-22-49(55-48)51(45)54)40-18-11-19-44(33-40)53(42-28-23-38(24-29-42)36-14-6-4-7-15-36)43-30-25-39(26-31-43)37-16-8-5-9-17-37/h4-34H,1-3H3.
What are the key properties of N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline?
N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline has a molecular weight of 708.91 g/mol, XLogP of 14.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-yl)aniline is sourced from PubChem (CID 170656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).