9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 134301024

IUPAC9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C67H41N5/c1-4-16-42(17-5-1)43-30-32-45(33-31-43)66-68-65(44-18-6-2-7-19-44)69-67(70-66)48-20-14-23-50(38-48)72-59-29-13-12-26-53(59)56-39-46(34-36-60(56)72)47-35-37-61-58(40-47)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)71(61)49-21-8-3-9-22-49/h1-41H
InChIKeyOXMTWWUOCKBHSX-UHFFFAOYSA-N
MW916.10 g/mol
LogP17.20
Rot. Bonds7

About 9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 134301024) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 CID134301024
Molecular FormulaC67H41N5
Molecular Weight916.10 g/mol
Exact Mass915.34
IUPAC Name9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C67H41N5/c1-4-16-42(17-5-1)43-30-32-45(33-31-43)66-68-65(44-18-6-2-7-19-44)69-67(70-66)48-20-14-23-50(38-48)72-59-29-13-12-26-53(59)56-39-46(34-36-60(56)72)47-35-37-61-58(40-47)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)71(61)49-21-8-3-9-22-49/h1-41H
InChIKeyOXMTWWUOCKBHSX-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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 134301024) is 9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)c4)n3)cc2)cc1.
What is the InChIKey of 9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 OXMTWWUOCKBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N5/c1-4-16-42(17-5-1)43-30-32-45(33-31-43)66-68-65(44-18-6-2-7-19-44)69-67(70-66)48-20-14-23-50(38-48)72-59-29-13-12-26-53(59)56-39-46(34-36-60(56)72)47-35-37-61-58(40-47)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)71(61)49-21-8-3-9-22-49/h1-41H.
What are the key properties of 9-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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-phenyl-5-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 134301024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).