9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole

C78H57N5 — CID 174271499

IUPAC9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole
SMILESCC1(C)C2=C(C=CCC2)c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5c(-c6cccc7c6c6ccc(-c8ccccc8)cc6n7C6=CCCC=C6)cccc54)n3)cccc21
InChIInChI=1S/C78H57N5/c1-78(2)65-35-17-15-30-60(65)72-64(34-19-36-66(72)78)77-80-75(54-42-40-53(41-43-54)50-22-7-3-8-23-50)79-76(81-77)63-47-45-56(52-26-11-5-12-27-52)49-71(63)83-67-37-18-16-31-61(67)73-58(33-21-39-69(73)83)59-32-20-38-68-74(59)62-46-44-55(51-24-9-4-10-25-51)48-70(62)82(68)57-28-13-6-14-29-57/h3-5,7-13,15-16,18-34,36-49H,6,14,17,35H2,1-2H3
InChIKeyYNIXVNSZEWTYHW-UHFFFAOYSA-N
MW1064.35 g/mol
LogP20.33
Rot. Bonds9

About 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole

9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole (PubChem CID 174271499) has the molecular formula C78H57N5 and a molecular weight of 1064.35 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole
PubChem CID174271499
Molecular FormulaC78H57N5
Molecular Weight1064.35 g/mol
Exact Mass1063.46
IUPAC Name9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole
SMILESCC1(C)C2=C(C=CCC2)c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5c(-c6cccc7c6c6ccc(-c8ccccc8)cc6n7C6=CCCC=C6)cccc54)n3)cccc21
InChIInChI=1S/C78H57N5/c1-78(2)65-35-17-15-30-60(65)72-64(34-19-36-66(72)78)77-80-75(54-42-40-53(41-43-54)50-22-7-3-8-23-50)79-76(81-77)63-47-45-56(52-26-11-5-12-27-52)49-71(63)83-67-37-18-16-31-61(67)73-58(33-21-39-69(73)83)59-32-20-38-68-74(59)62-46-44-55(51-24-9-4-10-25-51)48-70(62)82(68)57-28-13-6-14-29-57/h3-5,7-13,15-16,18-34,36-49H,6,14,17,35H2,1-2H3
InChIKeyYNIXVNSZEWTYHW-UHFFFAOYSA-N
XLogP20.33
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.35
LogP ≤ 520.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole with MolForge

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Related Compounds

9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854
9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174274717
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378
9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271172
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339
9-[2-[4-(9,9-dimethylfluoren-4-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176851473
2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 174273630
9-cyclohexa-1,5-dien-1-yl-2-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170078785

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole (CID 174271499) is 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole is CC1(C)C2=C(C=CCC2)c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5c(-c6cccc7c6c6ccc(-c8ccccc8)cc6n7C6=CCCC=C6)cccc54)n3)cccc21.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole?
The InChIKey is YNIXVNSZEWTYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H57N5/c1-78(2)65-35-17-15-30-60(65)72-64(34-19-36-66(72)78)77-80-75(54-42-40-53(41-43-54)50-22-7-3-8-23-50)79-76(81-77)63-47-45-56(52-26-11-5-12-27-52)49-71(63)83-67-37-18-16-31-61(67)73-58(33-21-39-69(73)83)59-32-20-38-68-74(59)62-46-44-55(51-24-9-4-10-25-51)48-70(62)82(68)57-28-13-6-14-29-57/h3-5,7-13,15-16,18-34,36-49H,6,14,17,35H2,1-2H3.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole?
9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole has a molecular weight of 1064.35 g/mol, XLogP of 20.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole is sourced from PubChem (CID 174271499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).