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

C50H40N2 — CID 70893250

IUPACN-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
SMILESCC1(C)c2ccccc2N2c3ccc(-c4cccc5c(N(c6ccccc6)c6ccc7ccccc7c6)cccc45)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C50H40N2/c1-49(2)41-22-10-11-25-46(41)52-47-30-28-35(32-44(47)50(3,4)43-24-14-23-42(49)48(43)52)38-19-12-21-40-39(38)20-13-26-45(40)51(36-17-6-5-7-18-36)37-29-27-33-15-8-9-16-34(33)31-37/h5-32H,1-4H3
InChIKeyWNJNLSNDCQYHSK-UHFFFAOYSA-N
MW668.88 g/mol
LogP13.88
Rot. Bonds4

About 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

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 (PubChem CID 70893250) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID70893250
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN-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
SMILESCC1(C)c2ccccc2N2c3ccc(-c4cccc5c(N(c6ccccc6)c6ccc7ccccc7c6)cccc45)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C50H40N2/c1-49(2)41-22-10-11-25-46(41)52-47-30-28-35(32-44(47)50(3,4)43-24-14-23-42(49)48(43)52)38-19-12-21-40-39(38)20-13-26-45(40)51(36-17-6-5-7-18-36)37-29-27-33-15-8-9-16-34(33)31-37/h5-32H,1-4H3
InChIKeyWNJNLSNDCQYHSK-UHFFFAOYSA-N
XLogP13.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N,N-diphenyl-4-(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 70893267
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-5-(8,8,14,14-tetramethyl-5,17-diphenyl-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-11-yl)naphthalen-1-amine
CID 90201402
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-(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
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(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)phenyl]fluoren-2-amine
CID 58489858
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
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-[4-(N-(9,9-dimethyl-7,10-diphenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N,7,10-triphenylacridin-2-amine;N-[4-[4-(N-[9,9-dimethyl-10-(4-methylphenyl)-7-phenylacridin-2-yl]anilino)phenyl]phenyl]-9,9-dimethyl-10-(4-methylphenyl)-N,7-diphenylacridin-2-amine;N-[4-[4-(N-(9,9-dimethyl-10-naphthalen-1-yl-7-phenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-10-naphthalen-1-yl-N,7-diphenylacridin-2-amine;N-[4-[4-[(9,9-dimethyl-10-phenylacridin-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-phenylacridin-2-amine;N-[4-[4-[[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-(4-phenylphenyl)acridin-2-amine
CID 159235712
N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-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 70892967
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N2c3ccc(-c4cccc5c(N(c6ccccc6)c6ccc7ccccc7c6)cccc45)cc3C(C)(C)c3cccc1c32.
What is the InChIKey of 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?
The InChIKey is WNJNLSNDCQYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-49(2)41-22-10-11-25-46(41)52-47-30-28-35(32-44(47)50(3,4)43-24-14-23-42(49)48(43)52)38-19-12-21-40-39(38)20-13-26-45(40)51(36-17-6-5-7-18-36)37-29-27-33-15-8-9-16-34(33)31-37/h5-32H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 668.88 g/mol, XLogP of 13.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).