9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole

C55H35N5 — CID 170055208

IUPAC9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)nc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C55H35N5/c1-3-15-36(16-4-1)37-27-29-40(30-28-37)53-56-54(48-24-10-9-20-42(48)38-17-5-2-6-18-38)58-55(57-53)60-51-35-41(59-49-25-13-11-22-44(49)45-23-12-14-26-50(45)59)32-34-46(51)47-33-31-39-19-7-8-21-43(39)52(47)60/h1-35H
InChIKeySASZTBDMOPHEDQ-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

About 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole

9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole (PubChem CID 170055208) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
PubChem CID170055208
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)nc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C55H35N5/c1-3-15-36(16-4-1)37-27-29-40(30-28-37)53-56-54(48-24-10-9-20-42(48)38-17-5-2-6-18-38)58-55(57-53)60-51-35-41(59-49-25-13-11-22-44(49)45-23-12-14-26-50(45)59)32-34-46(51)47-33-31-39-19-7-8-21-43(39)52(47)60/h1-35H
InChIKeySASZTBDMOPHEDQ-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 167031915
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 163656132
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 165057639
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729227
11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 158016221
3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729444

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
The IUPAC name of 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole (CID 170055208) is 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
The canonical SMILES for 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)nc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
The InChIKey is SASZTBDMOPHEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-3-15-36(16-4-1)37-27-29-40(30-28-37)53-56-54(48-24-10-9-20-42(48)38-17-5-2-6-18-38)58-55(57-53)60-51-35-41(59-49-25-13-11-22-44(49)45-23-12-14-26-50(45)59)32-34-46(51)47-33-31-39-19-7-8-21-43(39)52(47)60/h1-35H.
What are the key properties of 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 170055208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).