8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

C50H38N2 — CID 70892857

IUPAC8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
SMILESCC1(C)c2cccc3c2-n2c4c1cc(-c1ccc5ccccc5c1)cc4c1cc(N(c4ccccc4)c4ccc5ccccc5c4)cc(c12)C3(C)C
InChIInChI=1S/C50H38N2/c1-49(2)42-19-12-20-43-48(42)52-46-40(27-36(28-44(46)49)35-22-21-31-13-8-10-15-33(31)25-35)41-29-39(30-45(47(41)52)50(43,3)4)51(37-17-6-5-7-18-37)38-24-23-32-14-9-11-16-34(32)26-38/h5-30H,1-4H3
InChIKeyDILBNWORYLAFNX-UHFFFAOYSA-N
MW666.87 g/mol
LogP13.51
Rot. Bonds4

About 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70892857) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID70892857
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
SMILESCC1(C)c2cccc3c2-n2c4c1cc(-c1ccc5ccccc5c1)cc4c1cc(N(c4ccccc4)c4ccc5ccccc5c4)cc(c12)C3(C)C
InChIInChI=1S/C50H38N2/c1-49(2)42-19-12-20-43-48(42)52-46-40(27-36(28-44(46)49)35-22-21-31-13-8-10-15-33(31)25-35)41-29-39(30-45(47(41)52)50(43,3)4)51(37-17-6-5-7-18-37)38-24-23-32-14-9-11-16-34(32)26-38/h5-30H,1-4H3
InChIKeyDILBNWORYLAFNX-UHFFFAOYSA-N
XLogP13.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine
CID 70893180
N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70886158
N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70893138
N-naphthalen-2-yl-N-phenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-1-amine
CID 70885823
N-phenyl-N-[4-(8,8,14,14-tetramethyl-17-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]naphthalen-1-amine
CID 70886178
5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 88873421
13,13-dimethyl-N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-amine
CID 70893229
8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70892815
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
13,13-dimethyl-N-(3-naphthalen-2-ylphenyl)-N,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-amine
CID 70886014
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
4-N,4-N-bis(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 89211308

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (CID 70892857) is 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2cccc3c2-n2c4c1cc(-c1ccc5ccccc5c1)cc4c1cc(N(c4ccccc4)c4ccc5ccccc5c4)cc(c12)C3(C)C.
What is the InChIKey of 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is DILBNWORYLAFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-49(2)42-19-12-20-43-48(42)52-46-40(27-36(28-44(46)49)35-22-21-31-13-8-10-15-33(31)25-35)41-29-39(30-45(47(41)52)50(43,3)4)51(37-17-6-5-7-18-37)38-24-23-32-14-9-11-16-34(32)26-38/h5-30H,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 666.87 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70892857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).