9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C67H41N5 — CID 134301195

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)-c5ccccc5-8)ccc43)c2)cc1
InChIInChI=1S/C67H41N5/c1-4-16-42(17-5-1)46-22-14-23-50(38-46)72-59-29-13-12-26-53(59)56-39-47(32-36-60(56)72)48-33-37-61-58(40-48)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)71(61)49-34-30-45(31-35-49)67-69-65(43-18-6-2-7-19-43)68-66(70-67)44-20-8-3-9-21-44/h1-41H
InChIKeyIBPXHXINTGIFDA-UHFFFAOYSA-N
MW916.10 g/mol
LogP17.20
Rot. Bonds7

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 134301195) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
PubChem CID134301195
Molecular FormulaC67H41N5
Molecular Weight916.10 g/mol
Exact Mass915.34
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)-c5ccccc5-8)ccc43)c2)cc1
InChIInChI=1S/C67H41N5/c1-4-16-42(17-5-1)46-22-14-23-50(38-46)72-59-29-13-12-26-53(59)56-39-47(32-36-60(56)72)48-33-37-61-58(40-48)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)71(61)49-34-30-45(31-35-49)67-69-65(43-18-6-2-7-19-43)68-66(70-67)44-20-8-3-9-21-44/h1-41H
InChIKeyIBPXHXINTGIFDA-UHFFFAOYSA-N
XLogP17.20
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.10
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 134301195) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)-c5ccccc5-8)ccc43)c2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The InChIKey is IBPXHXINTGIFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N5/c1-4-16-42(17-5-1)46-22-14-23-50(38-46)72-59-29-13-12-26-53(59)56-39-47(32-36-60(56)72)48-33-37-61-58(40-48)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)71(61)49-34-30-45(31-35-49)67-69-65(43-18-6-2-7-19-43)68-66(70-67)44-20-8-3-9-21-44/h1-41H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 916.10 g/mol, XLogP of 17.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 134301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).