5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 134301016

IUPAC5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)cc4)c3)n2)cc1
InChIInChI=1S/C67H41N5/c1-4-16-43(17-5-1)65-68-66(44-18-6-2-7-19-44)70-67(69-65)48-21-14-20-45(38-48)42-30-34-50(35-31-42)71-59-29-13-12-26-53(59)56-39-46(32-36-60(56)71)47-33-37-61-58(40-47)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)72(61)49-22-8-3-9-23-49/h1-41H
InChIKeyFGRQNLJTRARVQW-UHFFFAOYSA-N
MW916.10 g/mol
LogP17.20
Rot. Bonds7

About 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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

5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 134301016) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 Name5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 CID134301016
Molecular FormulaC67H41N5
Molecular Weight916.10 g/mol
Exact Mass915.34
IUPAC Name5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)cc4)c3)n2)cc1
InChIInChI=1S/C67H41N5/c1-4-16-43(17-5-1)65-68-66(44-18-6-2-7-19-44)70-67(69-65)48-21-14-20-45(38-48)42-30-34-50(35-31-42)71-59-29-13-12-26-53(59)56-39-46(32-36-60(56)71)47-33-37-61-58(40-47)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)72(61)49-22-8-3-9-23-49/h1-41H
InChIKeyFGRQNLJTRARVQW-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 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 134301016) is 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)cc4)c3)n2)cc1.
What is the InChIKey of 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 FGRQNLJTRARVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N5/c1-4-16-43(17-5-1)65-68-66(44-18-6-2-7-19-44)70-67(69-65)48-21-14-20-45(38-48)42-30-34-50(35-31-42)71-59-29-13-12-26-53(59)56-39-46(32-36-60(56)71)47-33-37-61-58(40-47)64-55-28-15-27-54-51-24-10-11-25-52(51)57(63(54)55)41-62(64)72(61)49-22-8-3-9-23-49/h1-41H.
What are the key properties of 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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?
5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 5-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenyl-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 134301016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).