3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine

C50H38N2O — CID 170657020

IUPAC3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine
SMILESCc1c(N(c2cccc(-c3ccccc3)c2)c2ccc3ccccc3c2)ccc2c1N1c3cc(-c4ccccc4)ccc3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C50H38N2O/c1-33-44(51(41-26-24-36-18-10-11-19-37(36)31-41)40-21-12-20-38(30-40)34-14-6-4-7-15-34)28-29-47-48(33)52-45-32-39(35-16-8-5-9-17-35)25-27-42(45)50(2,3)43-22-13-23-46(53-47)49(43)52/h4-32H,1-3H3
InChIKeyBWTDBRRCGYHTID-UHFFFAOYSA-N
MW682.87 g/mol
LogP14.17
Rot. Bonds5

About 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine

3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine (PubChem CID 170657020) has the molecular formula C50H38N2O and a molecular weight of 682.87 g/mol. Its IUPAC name is 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine.

Molecular Properties

Compound Name3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine
PubChem CID170657020
Molecular FormulaC50H38N2O
Molecular Weight682.87 g/mol
Exact Mass682.30
IUPAC Name3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine
SMILESCc1c(N(c2cccc(-c3ccccc3)c2)c2ccc3ccccc3c2)ccc2c1N1c3cc(-c4ccccc4)ccc3C(C)(C)c3cccc(c31)O2
InChIInChI=1S/C50H38N2O/c1-33-44(51(41-26-24-36-18-10-11-19-37(36)31-41)40-21-12-20-38(30-40)34-14-6-4-7-15-34)28-29-47-48(33)52-45-32-39(35-16-8-5-9-17-35)25-27-42(45)50(2,3)43-22-13-23-46(53-47)49(43)52/h4-32H,1-3H3
InChIKeyBWTDBRRCGYHTID-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 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine with MolForge

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Related Compounds

14,14-dimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-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-11-amine
CID 170656195
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
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
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
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
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
18,18-dimethyl-N-phenanthren-9-yl-N-(4-phenylphenyl)-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 170656323
18,18-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-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 170656562
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,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
18-[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)-5-phenylphenyl]phenyl]-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-nonaene
CID 67951184
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 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine?
The IUPAC name of 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine (CID 170657020) is 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine.
What is the SMILES notation for 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine?
The canonical SMILES for 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine is Cc1c(N(c2cccc(-c3ccccc3)c2)c2ccc3ccccc3c2)ccc2c1N1c3cc(-c4ccccc4)ccc3C(C)(C)c3cccc(c31)O2.
What is the InChIKey of 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine?
The InChIKey is BWTDBRRCGYHTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2O/c1-33-44(51(41-26-24-36-18-10-11-19-37(36)31-41)40-21-12-20-38(30-40)34-14-6-4-7-15-34)28-29-47-48(33)52-45-32-39(35-16-8-5-9-17-35)25-27-42(45)50(2,3)43-22-13-23-46(53-47)49(43)52/h4-32H,1-3H3.
What are the key properties of 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine?
3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-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 3,14,14-trimethyl-N-naphthalen-2-yl-18-phenyl-N-(3-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-amine is sourced from PubChem (CID 170657020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).