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

C61H36N4O — CID 134301039

IUPAC9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7oc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)n3)cc2)cc1
InChIInChI=1S/C61H36N4O/c1-3-12-37(13-4-1)39-22-26-41(27-23-39)59-62-60(42-28-24-40(25-29-42)38-14-5-2-6-15-38)64-61(63-59)65-53-21-10-9-18-47(53)50-34-43(30-32-54(50)65)44-31-33-55-52(35-44)58-49-20-11-19-48-45-16-7-8-17-46(45)51(57(48)49)36-56(58)66-55/h1-36H
InChIKeySMTOROPVDABKTB-UHFFFAOYSA-N
MW840.99 g/mol
LogP16.00
Rot. Bonds6

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

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole (PubChem CID 134301039) has the molecular formula C61H36N4O and a molecular weight of 840.99 g/mol. Its IUPAC name is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole
PubChem CID134301039
Molecular FormulaC61H36N4O
Molecular Weight840.99 g/mol
Exact Mass840.29
IUPAC Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7oc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)n3)cc2)cc1
InChIInChI=1S/C61H36N4O/c1-3-12-37(13-4-1)39-22-26-41(27-23-39)59-62-60(42-28-24-40(25-29-42)38-14-5-2-6-15-38)64-61(63-59)65-53-21-10-9-18-47(53)50-34-43(30-32-54(50)65)44-31-33-55-52(35-44)58-49-20-11-19-48-45-16-7-8-17-46(45)51(57(48)49)36-56(58)66-55/h1-36H
InChIKeySMTOROPVDABKTB-UHFFFAOYSA-N
XLogP16.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.99
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole with MolForge

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Related Compounds

3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole
CID 165078479
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309800
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole?
The IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole (CID 134301039) is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7oc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)n3)cc2)cc1.
What is the InChIKey of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole?
The InChIKey is SMTOROPVDABKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N4O/c1-3-12-37(13-4-1)39-22-26-41(27-23-39)59-62-60(42-28-24-40(25-29-42)38-14-5-2-6-15-38)64-61(63-59)65-53-21-10-9-18-47(53)50-34-43(30-32-54(50)65)44-31-33-55-52(35-44)58-49-20-11-19-48-45-16-7-8-17-46(45)51(57(48)49)36-56(58)66-55/h1-36H.
What are the key properties of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole?
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole has a molecular weight of 840.99 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[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-undecaen-5-yl)carbazole is sourced from PubChem (CID 134301039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).