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

C71H51N3 — CID 88873421

IUPAC5-(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
SMILESCC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4cc(N(c5ccccc5)c5ccc6cc(-c7ccccc7)ccc6c5)cc(N(c5ccccc5)c5ccc6cc(-c7ccccc7)ccc6c5)c4)cc1c32
InChIInChI=1S/C71H51N3/c1-71(2)66-28-16-18-30-69(66)74-68-29-17-15-27-64(68)65-45-57(46-67(71)70(65)74)56-43-62(72(58-23-11-5-12-24-58)60-37-35-52-39-50(31-33-54(52)41-60)48-19-7-3-8-20-48)47-63(44-56)73(59-25-13-6-14-26-59)61-38-36-53-40-51(32-34-55(53)42-61)49-21-9-4-10-22-49/h3-47H,1-2H3
InChIKeyLFIWKIRUVSVVOO-UHFFFAOYSA-N
MW946.21 g/mol
LogP19.67
Rot. Bonds9

About 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

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 (PubChem CID 88873421) has the molecular formula C71H51N3 and a molecular weight of 946.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID88873421
Molecular FormulaC71H51N3
Molecular Weight946.21 g/mol
Exact Mass945.41
IUPAC Name5-(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
SMILESCC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4cc(N(c5ccccc5)c5ccc6cc(-c7ccccc7)ccc6c5)cc(N(c5ccccc5)c5ccc6cc(-c7ccccc7)ccc6c5)c4)cc1c32
InChIInChI=1S/C71H51N3/c1-71(2)66-28-16-18-30-69(66)74-68-29-17-15-27-64(68)65-45-57(46-67(71)70(65)74)56-43-62(72(58-23-11-5-12-24-58)60-37-35-52-39-50(31-33-54(52)41-60)48-19-7-3-8-20-48)47-63(44-56)73(59-25-13-6-14-26-59)61-38-36-53-40-51(32-34-55(53)42-61)49-21-9-4-10-22-49/h3-47H,1-2H3
InChIKeyLFIWKIRUVSVVOO-UHFFFAOYSA-N
XLogP19.67
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.21
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(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)naphthalen-2-yl]-3-N-(4-methoxyphenyl)-1-N-(4-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 70645443
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
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
N-[4-(13,13-dimethyl-17-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121445353
N-[4-(13,13-dimethyl-16-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121445359
4-N-(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,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
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-[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
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
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
10-[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-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-nonaene
CID 123456756
3-N-(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N-naphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4cc(N(c5ccccc5)c5ccc6cc(-c7ccccc7)ccc6c5)cc(N(c5ccccc5)c5ccc6cc(-c7ccccc7)ccc6c5)c4)cc1c32.
What is the InChIKey of 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?
The InChIKey is LFIWKIRUVSVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N3/c1-71(2)66-28-16-18-30-69(66)74-68-29-17-15-27-64(68)65-45-57(46-67(71)70(65)74)56-43-62(72(58-23-11-5-12-24-58)60-37-35-52-39-50(31-33-54(52)41-60)48-19-7-3-8-20-48)47-63(44-56)73(59-25-13-6-14-26-59)61-38-36-53-40-51(32-34-55(53)42-61)49-21-9-4-10-22-49/h3-47H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 946.21 g/mol, XLogP of 19.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88873421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).