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

C38H27N — CID 146520184

IUPAC13-(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
SMILESCc1ccccc1C1(c2cccc(-c3ccccc3)c2)c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C38H27N/c1-26-13-5-7-20-32(26)38(29-17-11-16-28(25-29)27-14-3-2-4-15-27)33-21-8-10-24-36(33)39-35-23-9-6-18-30(35)31-19-12-22-34(38)37(31)39/h2-25H,1H3
InChIKeyUXWPMVVQJBSDFO-UHFFFAOYSA-N
MW497.64 g/mol
LogP9.46
Rot. Bonds3

About 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

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 (PubChem CID 146520184) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-(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
PubChem CID146520184
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name13-(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
SMILESCc1ccccc1C1(c2cccc(-c3ccccc3)c2)c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C38H27N/c1-26-13-5-7-20-32(26)38(29-17-11-16-28(25-29)27-14-3-2-4-15-27)33-21-8-10-24-36(33)39-35-23-9-6-18-30(35)31-19-12-22-34(38)37(31)39/h2-25H,1H3
InChIKeyUXWPMVVQJBSDFO-UHFFFAOYSA-N
XLogP9.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-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
[2-[13-[3-(4-cyanophenyl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl]phenyl]-dimethylsulfanium
CID 145313660
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-[3-[3-(2,6-diphenylpyrimidin-4-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 154028256
5',5'-dimethyl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
CID 140878577
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
2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135139924
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590608
2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135139965
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
2'-(4-carbazol-9-ylphenyl)-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140042

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1C1(c2cccc(-c3ccccc3)c2)c2ccccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 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?
The InChIKey is UXWPMVVQJBSDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-26-13-5-7-20-32(26)38(29-17-11-16-28(25-29)27-14-3-2-4-15-27)33-21-8-10-24-36(33)39-35-23-9-6-18-30(35)31-19-12-22-34(38)37(31)39/h2-25H,1H3.
What are the key properties of 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?
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 has a molecular weight of 497.64 g/mol, XLogP of 9.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146520184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).