13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C64H47N — CID 139341014

IUPAC13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2ccc(CCC(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H47N/c1-4-15-46(16-5-1)48-30-27-45(28-31-48)29-44-56(52-36-32-49(33-37-52)47-17-6-2-7-18-47)53-38-34-50(35-39-53)51-40-42-55(43-41-51)64(54-19-8-3-9-20-54)59-23-11-13-26-62(59)65-61-25-12-10-21-57(61)58-22-14-24-60(64)63(58)65/h1-28,30-43,56H,29,44H2
InChIKeyCNTRBIKIRJPWAD-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.25
Rot. Bonds10

About 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 139341014) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID139341014
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC Name13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2ccc(CCC(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H47N/c1-4-15-46(16-5-1)48-30-27-45(28-31-48)29-44-56(52-36-32-49(33-37-52)47-17-6-2-7-18-47)53-38-34-50(35-39-53)51-40-42-55(43-41-51)64(54-19-8-3-9-20-54)59-23-11-13-26-62(59)65-61-25-12-10-21-57(61)58-22-14-24-60(64)63(58)65/h1-28,30-43,56H,29,44H2
InChIKeyCNTRBIKIRJPWAD-UHFFFAOYSA-N
XLogP16.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273154
13-(4-chlorophenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139340772
13-phenyl-13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273077
13-(4-diphenylphosphorylphenyl)-13-[4-(4-methylphenyl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 87159708
9-[4-[4-[3-(9,9-diphenylfluoren-2-yl)-3-(2-phenylphenyl)propyl]phenyl]phenyl]carbazole
CID 156568564
13-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273125
13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273046
13-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273139
13-phenyl-13-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273129
13-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273065
13-(2-methylphenyl)-13-(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 146520184
13-phenyl-13-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 154028258

Frequently Asked Questions

What is the IUPAC name of 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 139341014) is 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc(-c2ccc(CCC(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)cc3)cc2)cc1.
What is the InChIKey of 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is CNTRBIKIRJPWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-4-15-46(16-5-1)48-30-27-45(28-31-48)29-44-56(52-36-32-49(33-37-52)47-17-6-2-7-18-47)53-38-34-50(35-39-53)51-40-42-55(43-41-51)64(54-19-8-3-9-20-54)59-23-11-13-26-62(59)65-61-25-12-10-21-57(61)58-22-14-24-60(64)63(58)65/h1-28,30-43,56H,29,44H2.
What are the key properties of 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 830.09 g/mol, XLogP of 16.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 139341014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).