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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine

C47H34N2O — CID 170656864

IUPACN-[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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
SMILESCC1(C)c2cccc3c2N(c2ccccc2O3)c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)c21
InChIInChI=1S/C47H34N2O/c1-47(2)39-18-11-23-44-46(39)49(41-19-7-8-22-43(41)50-44)42-21-10-17-38(45(42)47)33-25-27-35(28-26-33)48(36-29-24-31-12-3-4-14-34(31)30-36)40-20-9-15-32-13-5-6-16-37(32)40/h3-30H,1-2H3
InChIKeyYEMOPZCMTWFXDZ-UHFFFAOYSA-N
MW642.80 g/mol
LogP13.34
Rot. Bonds4

About 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine

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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine (PubChem CID 170656864) has the molecular formula C47H34N2O and a molecular weight of 642.80 g/mol. Its IUPAC name is 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
PubChem CID170656864
Molecular FormulaC47H34N2O
Molecular Weight642.80 g/mol
Exact Mass642.27
IUPAC NameN-[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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
SMILESCC1(C)c2cccc3c2N(c2ccccc2O3)c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)c21
InChIInChI=1S/C47H34N2O/c1-47(2)39-18-11-23-44-46(39)49(41-19-7-8-22-43(41)50-44)42-21-10-17-38(45(42)47)33-25-27-35(28-26-33)48(36-29-24-31-12-3-4-14-34(31)30-36)40-20-9-15-32-13-5-6-16-37(32)40/h3-30H,1-2H3
InChIKeyYEMOPZCMTWFXDZ-UHFFFAOYSA-N
XLogP13.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine with MolForge

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Related Compounds

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-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-1-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 170656649
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
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
N,N-bis(9,9-dimethylfluoren-2-yl)-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-20-amine
CID 170656639
N-naphthalen-2-yl-N-phenyl-5-(8,8,14,14-tetramethyl-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)naphthalen-1-amine
CID 70893250
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-[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-[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
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-(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,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

Frequently Asked Questions

What is the IUPAC name of 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
The IUPAC name of 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine (CID 170656864) is 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine.
What is the SMILES notation for 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
The canonical SMILES for 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine is CC1(C)c2cccc3c2N(c2ccccc2O3)c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)c21.
What is the InChIKey of 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
The InChIKey is YEMOPZCMTWFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2O/c1-47(2)39-18-11-23-44-46(39)49(41-19-7-8-22-43(41)50-44)42-21-10-17-38(45(42)47)33-25-27-35(28-26-33)48(36-29-24-31-12-3-4-14-34(31)30-36)40-20-9-15-32-13-5-6-16-37(32)40/h3-30H,1-2H3.
What are the key properties of 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine has a molecular weight of 642.80 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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),15,17,19-nonaen-16-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine is sourced from PubChem (CID 170656864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).