1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole

C55H37N5 — CID 174274955

IUPAC1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)cccc43)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C55H37N5/c1-4-18-36(19-5-1)53-56-54(37-20-6-2-7-21-37)58-55(57-53)44-27-13-15-31-47(44)60-46-30-14-12-26-43(46)51-41(28-17-33-49(51)60)42-29-16-32-48-52(42)45-34-38-22-10-11-23-39(38)35-50(45)59(48)40-24-8-3-9-25-40/h1-35,55H,(H,56,57,58)
InChIKeyYIZQCGBGFWLSBB-UHFFFAOYSA-N
MW767.94 g/mol
LogP13.20
Rot. Bonds6

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

1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole (PubChem CID 174274955) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
PubChem CID174274955
Molecular FormulaC55H37N5
Molecular Weight767.94 g/mol
Exact Mass767.30
IUPAC Name1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)cccc43)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C55H37N5/c1-4-18-36(19-5-1)53-56-54(37-20-6-2-7-21-37)58-55(57-53)44-27-13-15-31-47(44)60-46-30-14-12-26-43(46)51-41(28-17-33-49(51)60)42-29-16-32-48-52(42)45-34-38-22-10-11-23-39(38)35-50(45)59(48)40-24-8-3-9-25-40/h1-35,55H,(H,56,57,58)
InChIKeyYIZQCGBGFWLSBB-UHFFFAOYSA-N
XLogP13.20
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.94
LogP ≤ 513.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
CID 174272506
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
12-[2-[4-[2-phenyl-4-(6-phenylnaphthalen-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032343
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253
7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
CID 166915900

Frequently Asked Questions

What is the IUPAC name of 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole?
The IUPAC name of 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole (CID 174274955) is 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole.
What is the SMILES notation for 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole?
The canonical SMILES for 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole is c1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)cccc43)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole?
The InChIKey is YIZQCGBGFWLSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-4-18-36(19-5-1)53-56-54(37-20-6-2-7-21-37)58-55(57-53)44-27-13-15-31-47(44)60-46-30-14-12-26-43(46)51-41(28-17-33-49(51)60)42-29-16-32-48-52(42)45-34-38-22-10-11-23-39(38)35-50(45)59(48)40-24-8-3-9-25-40/h1-35,55H,(H,56,57,58).
What are the key properties of 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole?
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole has a molecular weight of 767.94 g/mol, XLogP of 13.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole is sourced from PubChem (CID 174274955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).