9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole

C57H41N5 — CID 170082109

IUPAC9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole
SMILESC1=CCCC(C2N=C(c3ccccc3-n3c4ccccc4c4ccc(-n5c6cc(-c7ccccc7)ccc6c6c(-c7ccccc7)cccc65)cc43)N=C(c3ccccc3)N2)=C1
InChIInChI=1S/C57H41N5/c1-5-18-38(19-6-1)42-32-34-47-52(36-42)61(51-31-17-28-44(54(47)51)39-20-7-2-8-21-39)43-33-35-46-45-26-13-15-29-49(45)62(53(46)37-43)50-30-16-14-27-48(50)57-59-55(40-22-9-3-10-23-40)58-56(60-57)41-24-11-4-12-25-41/h1-11,13-24,26-37,56H,12,25H2,(H,58,59,60)
InChIKeyMELBQEZOSQGDNZ-UHFFFAOYSA-N
MW795.99 g/mol
LogP13.61
Rot. Bonds7

About 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole

9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole (PubChem CID 170082109) has the molecular formula C57H41N5 and a molecular weight of 795.99 g/mol. Its IUPAC name is 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole
PubChem CID170082109
Molecular FormulaC57H41N5
Molecular Weight795.99 g/mol
Exact Mass795.34
IUPAC Name9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole
SMILESC1=CCCC(C2N=C(c3ccccc3-n3c4ccccc4c4ccc(-n5c6cc(-c7ccccc7)ccc6c6c(-c7ccccc7)cccc65)cc43)N=C(c3ccccc3)N2)=C1
InChIInChI=1S/C57H41N5/c1-5-18-38(19-6-1)42-32-34-47-52(36-42)61(51-31-17-28-44(54(47)51)39-20-7-2-8-21-39)43-33-35-46-45-26-13-15-29-49(45)62(53(46)37-43)50-30-16-14-27-48(50)57-59-55(40-22-9-3-10-23-40)58-56(60-57)41-24-11-4-12-25-41/h1-11,13-24,26-37,56H,12,25H2,(H,58,59,60)
InChIKeyMELBQEZOSQGDNZ-UHFFFAOYSA-N
XLogP13.61
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 513.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole with MolForge

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Related Compounds

4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
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-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
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
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097785
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611

Frequently Asked Questions

What is the IUPAC name of 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole?
The IUPAC name of 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole (CID 170082109) is 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole.
What is the SMILES notation for 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole?
The canonical SMILES for 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole is C1=CCCC(C2N=C(c3ccccc3-n3c4ccccc4c4ccc(-n5c6cc(-c7ccccc7)ccc6c6c(-c7ccccc7)cccc65)cc43)N=C(c3ccccc3)N2)=C1.
What is the InChIKey of 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole?
The InChIKey is MELBQEZOSQGDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N5/c1-5-18-38(19-6-1)42-32-34-47-52(36-42)61(51-31-17-28-44(54(47)51)39-20-7-2-8-21-39)43-33-35-46-45-26-13-15-29-49(45)62(53(46)37-43)50-30-16-14-27-48(50)57-59-55(40-22-9-3-10-23-40)58-56(60-57)41-24-11-4-12-25-41/h1-11,13-24,26-37,56H,12,25H2,(H,58,59,60).
What are the key properties of 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole?
9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole has a molecular weight of 795.99 g/mol, XLogP of 13.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[2-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazol-2-yl]-2,5-diphenylcarbazole is sourced from PubChem (CID 170082109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).