9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene

C40H27N3 — CID 118527718

IUPAC9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4n4c3cc3c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1
InChIInChI=1S/C40H27N3/c1-3-11-28(12-4-1)30-19-23-32(24-20-30)41-37-17-9-10-18-38(37)43-39(41)27-35-34-15-7-8-16-36(34)42(40(35)43)33-25-21-31(22-26-33)29-13-5-2-6-14-29/h1-27H
InChIKeyUJOQMZKXGHROEQ-UHFFFAOYSA-N
MW549.68 g/mol
LogP10.31
Rot. Bonds4

About 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene

9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene (PubChem CID 118527718) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene.

Molecular Properties

Compound Name9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
PubChem CID118527718
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4n4c3cc3c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1
InChIInChI=1S/C40H27N3/c1-3-11-28(12-4-1)30-19-23-32(24-20-30)41-37-17-9-10-18-38(37)43-39(41)27-35-34-15-7-8-16-36(34)42(40(35)43)33-25-21-31(22-26-33)29-13-5-2-6-14-29/h1-27H
InChIKeyUJOQMZKXGHROEQ-UHFFFAOYSA-N
XLogP10.31
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene with MolForge

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Related Compounds

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CID 135323607
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
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2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
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5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
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2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
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3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
The IUPAC name of 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene (CID 118527718) is 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene.
What is the SMILES notation for 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
The canonical SMILES for 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene is c1ccc(-c2ccc(-n3c4ccccc4n4c3cc3c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1.
What is the InChIKey of 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
The InChIKey is UJOQMZKXGHROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-3-11-28(12-4-1)30-19-23-32(24-20-30)41-37-17-9-10-18-38(37)43-39(41)27-35-34-15-7-8-16-36(34)42(40(35)43)33-25-21-31(22-26-33)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene has a molecular weight of 549.68 g/mol, XLogP of 10.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene is sourced from PubChem (CID 118527718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).