3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

C75H52N6 — CID 166701788

IUPAC3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESC1=Cc2c(n(C3=C(c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc65)cc4)CCC(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)=C3)c3ccccc23)CC1
InChIInChI=1S/C75H52N6/c1-4-19-51(20-5-1)73-76-74(52-21-6-2-7-22-52)78-75(77-73)53-37-35-49(36-38-53)54-41-45-58(71(48-54)81-66-31-15-10-25-60(66)61-26-11-16-32-67(61)81)50-39-43-57(44-40-50)80-68-33-17-13-28-63(68)72-59(29-18-34-70(72)80)55-42-46-69-64(47-55)62-27-12-14-30-65(62)79(69)56-23-8-3-9-24-56/h1-15,17-31,33-40,42-44,46-48H,16,32,41,45H2
InChIKeyGDPDFJJKYKJVHI-UHFFFAOYSA-N
MW1037.28 g/mol
LogP18.89
Rot. Bonds9

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

3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 166701788) has the molecular formula C75H52N6 and a molecular weight of 1037.28 g/mol. Its IUPAC name is 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID166701788
Molecular FormulaC75H52N6
Molecular Weight1037.28 g/mol
Exact Mass1036.43
IUPAC Name3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESC1=Cc2c(n(C3=C(c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc65)cc4)CCC(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)=C3)c3ccccc23)CC1
InChIInChI=1S/C75H52N6/c1-4-19-51(20-5-1)73-76-74(52-21-6-2-7-22-52)78-75(77-73)53-37-35-49(36-38-53)54-41-45-58(71(48-54)81-66-31-15-10-25-60(66)61-26-11-16-32-67(61)81)50-39-43-57(44-40-50)80-68-33-17-13-28-63(68)72-59(29-18-34-70(72)80)55-42-46-69-64(47-55)62-27-12-14-30-65(62)79(69)56-23-8-3-9-24-56/h1-15,17-31,33-40,42-44,46-48H,16,32,41,45H2
InChIKeyGDPDFJJKYKJVHI-UHFFFAOYSA-N
XLogP18.89
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.28
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-[9-[3-(1,2-dihydrocarbazol-9-yl)phenyl]carbazol-4-yl]-9-methylcarbazole
CID 163941153
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163512685
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 166701788) is 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is C1=Cc2c(n(C3=C(c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc65)cc4)CCC(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)=C3)c3ccccc23)CC1.
What is the InChIKey of 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is GDPDFJJKYKJVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N6/c1-4-19-51(20-5-1)73-76-74(52-21-6-2-7-22-52)78-75(77-73)53-37-35-49(36-38-53)54-41-45-58(71(48-54)81-66-31-15-10-25-60(66)61-26-11-16-32-67(61)81)50-39-43-57(44-40-50)80-68-33-17-13-28-63(68)72-59(29-18-34-70(72)80)55-42-46-69-64(47-55)62-27-12-14-30-65(62)79(69)56-23-8-3-9-24-56/h1-15,17-31,33-40,42-44,46-48H,16,32,41,45H2.
What are the key properties of 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 1037.28 g/mol, XLogP of 18.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 166701788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).