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

C50H38N2O — CID 170656499

IUPACN-(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
SMILESCc1cccc2c1N1c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C50H38N2O/c1-33-12-9-20-46-48(33)52-45-31-26-38(32-43(45)50(2,3)42-18-11-21-47(53-46)49(42)52)36-24-29-40(30-25-36)51(44-19-10-16-37-15-7-8-17-41(37)44)39-27-22-35(23-28-39)34-13-5-4-6-14-34/h4-32H,1-3H3
InChIKeyFLFSMDKUYXMKLC-UHFFFAOYSA-N
MW682.87 g/mol
LogP14.17
Rot. Bonds5

About 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

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 (PubChem CID 170656499) has the molecular formula C50H38N2O and a molecular weight of 682.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID170656499
Molecular FormulaC50H38N2O
Molecular Weight682.87 g/mol
Exact Mass682.30
IUPAC NameN-(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
SMILESCc1cccc2c1N1c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C50H38N2O/c1-33-12-9-20-46-48(33)52-45-31-26-38(32-43(45)50(2,3)42-18-11-21-47(53-46)49(42)52)36-24-29-40(30-25-36)51(44-19-10-16-37-15-7-8-17-41(37)44)39-27-22-35(23-28-39)34-13-5-4-6-14-34/h4-32H,1-3H3
InChIKeyFLFSMDKUYXMKLC-UHFFFAOYSA-N
XLogP14.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
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-(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]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170656276
14,14-dimethyl-N-phenanthren-9-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 170657006
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
8,8,14,14-tetramethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-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 70892813
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),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656690
8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-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 70893017
N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 90201309

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1N1c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc3C(C)(C)c3cccc(c31)O2.
What is the InChIKey of 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?
The InChIKey is FLFSMDKUYXMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2O/c1-33-12-9-20-46-48(33)52-45-31-26-38(32-43(45)50(2,3)42-18-11-21-47(53-46)49(42)52)36-24-29-40(30-25-36)51(44-19-10-16-37-15-7-8-17-41(37)44)39-27-22-35(23-28-39)34-13-5-4-6-14-34/h4-32H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 682.87 g/mol, XLogP of 14.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170656499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).