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

C49H36N2O — CID 170656195

IUPAC14,14-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
SMILESCC1(C)c2ccc(-c3ccccc3)cc2N2c3ccccc3Oc3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)cc1c32
InChIInChI=1S/C49H36N2O/c1-49(2)42-27-25-38(34-16-7-4-8-17-34)30-45(42)51-44-22-11-12-23-46(44)52-47-32-41(31-43(49)48(47)51)50(40-26-24-35-18-9-10-19-36(35)29-40)39-21-13-20-37(28-39)33-14-5-3-6-15-33/h3-32H,1-2H3
InChIKeyUFFQSMVYXKNVAS-UHFFFAOYSA-N
MW668.84 g/mol
LogP13.86
Rot. Bonds5

About 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

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 (PubChem CID 170656195) has the molecular formula C49H36N2O and a molecular weight of 668.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID170656195
Molecular FormulaC49H36N2O
Molecular Weight668.84 g/mol
Exact Mass668.28
IUPAC Name14,14-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
SMILESCC1(C)c2ccc(-c3ccccc3)cc2N2c3ccccc3Oc3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)cc1c32
InChIInChI=1S/C49H36N2O/c1-49(2)42-27-25-38(34-16-7-4-8-17-34)30-45(42)51-44-22-11-12-23-46(44)52-47-32-41(31-43(49)48(47)51)50(40-26-24-35-18-9-10-19-36(35)29-40)39-21-13-20-37(28-39)33-14-5-3-6-15-33/h3-32H,1-2H3
InChIKeyUFFQSMVYXKNVAS-UHFFFAOYSA-N
XLogP13.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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-[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
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-(8,14-dioxa-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)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-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]phenyl]-N,4-diphenylaniline;N-[4-[3-(8,14-dioxa-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]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-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-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846
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
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-2-yl-10-phenyl-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 170656492
N-[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-11-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 170657017

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(-c3ccccc3)cc2N2c3ccccc3Oc3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)cc1c32.
What is the InChIKey of 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?
The InChIKey is UFFQSMVYXKNVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O/c1-49(2)42-27-25-38(34-16-7-4-8-17-34)30-45(42)51-44-22-11-12-23-46(44)52-47-32-41(31-43(49)48(47)51)50(40-26-24-35-18-9-10-19-36(35)29-40)39-21-13-20-37(28-39)33-14-5-3-6-15-33/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 668.84 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170656195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).