9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole

C55H38N6 — CID 170262472

IUPAC9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)CC1
InChIInChI=1S/C55H38N6/c1-5-17-37(18-6-1)49-50(38-19-7-2-8-20-38)57-52(40-33-35-44(36-34-40)61-47-27-15-13-25-45(47)46-26-14-16-28-48(46)61)51(56-49)39-29-31-43(32-30-39)55-59-53(41-21-9-3-10-22-41)58-54(60-55)42-23-11-4-12-24-42/h1-13,15-25,27-36H,14,26H2
InChIKeyPVHJUXRGTDBKAI-UHFFFAOYSA-N
MW782.95 g/mol
LogP13.23
Rot. Bonds8

About 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole

9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole (PubChem CID 170262472) has the molecular formula C55H38N6 and a molecular weight of 782.95 g/mol. Its IUPAC name is 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
PubChem CID170262472
Molecular FormulaC55H38N6
Molecular Weight782.95 g/mol
Exact Mass782.32
IUPAC Name9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)CC1
InChIInChI=1S/C55H38N6/c1-5-17-37(18-6-1)49-50(38-19-7-2-8-20-38)57-52(40-33-35-44(36-34-40)61-47-27-15-13-25-45(47)46-26-14-16-28-48(46)61)51(56-49)39-29-31-43(32-30-39)55-59-53(41-21-9-3-10-22-41)58-54(60-55)42-23-11-4-12-24-42/h1-13,15-25,27-36H,14,26H2
InChIKeyPVHJUXRGTDBKAI-UHFFFAOYSA-N
XLogP13.23
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.95
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole (CID 170262472) is 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)CC1.
What is the InChIKey of 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole?
The InChIKey is PVHJUXRGTDBKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N6/c1-5-17-37(18-6-1)49-50(38-19-7-2-8-20-38)57-52(40-33-35-44(36-34-40)61-47-27-15-13-25-45(47)46-26-14-16-28-48(46)61)51(56-49)39-29-31-43(32-30-39)55-59-53(41-21-9-3-10-22-41)58-54(60-55)42-23-11-4-12-24-42/h1-13,15-25,27-36H,14,26H2.
What are the key properties of 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole?
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole has a molecular weight of 782.95 g/mol, XLogP of 13.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole is sourced from PubChem (CID 170262472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).