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

C73H45N5 — CID 134301019

IUPAC5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)c4)n3)c2)cc1
InChIInChI=1S/C73H45N5/c1-4-18-46(19-5-1)48-22-14-24-52(40-48)71-74-72(53-25-15-23-49(41-53)47-20-6-2-7-21-47)76-73(75-71)54-26-16-29-56(42-54)78-65-35-13-12-32-59(65)62-43-50(36-38-66(62)78)51-37-39-67-64(44-51)70-61-34-17-33-60-57-30-10-11-31-58(57)63(69(60)61)45-68(70)77(67)55-27-8-3-9-28-55/h1-45H
InChIKeyNKFYSBLVPYQDFM-UHFFFAOYSA-N
MW992.20 g/mol
LogP18.87
Rot. Bonds8

About 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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 134301019) has the molecular formula C73H45N5 and a molecular weight of 992.20 g/mol. Its IUPAC name is 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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 CID134301019
Molecular FormulaC73H45N5
Molecular Weight992.20 g/mol
Exact Mass991.37
IUPAC Name5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)c4)n3)c2)cc1
InChIInChI=1S/C73H45N5/c1-4-18-46(19-5-1)48-22-14-24-52(40-48)71-74-72(53-25-15-23-49(41-53)47-20-6-2-7-21-47)76-73(75-71)54-26-16-29-56(42-54)78-65-35-13-12-32-59(65)62-43-50(36-38-66(62)78)51-37-39-67-64(44-51)70-61-34-17-33-60-57-30-10-11-31-58(57)63(69(60)61)45-68(70)77(67)55-27-8-3-9-28-55/h1-45H
InChIKeyNKFYSBLVPYQDFM-UHFFFAOYSA-N
XLogP18.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.20
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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 134301019) is 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7c9cccc%10c9c(cc7n8-c7ccccc7)-c7ccccc7-%10)ccc65)c4)n3)c2)cc1.
What is the InChIKey of 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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 NKFYSBLVPYQDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N5/c1-4-18-46(19-5-1)48-22-14-24-52(40-48)71-74-72(53-25-15-23-49(41-53)47-20-6-2-7-21-47)76-73(75-71)54-26-16-29-56(42-54)78-65-35-13-12-32-59(65)62-43-50(36-38-66(62)78)51-37-39-67-64(44-51)70-61-34-17-33-60-57-30-10-11-31-58(57)63(69(60)61)45-68(70)77(67)55-27-8-3-9-28-55/h1-45H.
What are the key properties of 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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 992.20 g/mol, XLogP of 18.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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 134301019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).