9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole

C70H53N5 — CID 154971966

IUPAC9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole
SMILESCC1C=CC=CC1c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(C6=CCCC=C6)c5)c(-n5c6ccccc6c6ccccc65)c4)n3)cc2N2c3ccccc3C3C=CC=CC32)c1
InChIInChI=1S/C70H53N5/c1-46-20-8-9-29-55(46)50-26-19-28-52(43-50)57-41-39-54(45-67(57)75-64-36-16-12-32-60(64)61-33-13-17-37-65(61)75)70-72-68(48-23-6-3-7-24-48)71-69(73-70)53-38-40-56(51-27-18-25-49(42-51)47-21-4-2-5-22-47)66(44-53)74-62-34-14-10-30-58(62)59-31-11-15-35-63(59)74/h3-4,6-46,55,60,64H,2,5H2,1H3
InChIKeyQHKCNXRQZGHYPE-UHFFFAOYSA-N
MW964.23 g/mol
LogP17.61
Rot. Bonds9

About 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole

9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole (PubChem CID 154971966) has the molecular formula C70H53N5 and a molecular weight of 964.23 g/mol. Its IUPAC name is 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole
PubChem CID154971966
Molecular FormulaC70H53N5
Molecular Weight964.23 g/mol
Exact Mass963.43
IUPAC Name9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole
SMILESCC1C=CC=CC1c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(C6=CCCC=C6)c5)c(-n5c6ccccc6c6ccccc65)c4)n3)cc2N2c3ccccc3C3C=CC=CC32)c1
InChIInChI=1S/C70H53N5/c1-46-20-8-9-29-55(46)50-26-19-28-52(43-50)57-41-39-54(45-67(57)75-64-36-16-12-32-60(64)61-33-13-17-37-65(61)75)70-72-68(48-23-6-3-7-24-48)71-69(73-70)53-38-40-56(51-27-18-25-49(42-51)47-21-4-2-5-22-47)66(44-53)74-62-34-14-10-30-58(62)59-31-11-15-35-63(59)74/h3-4,6-46,55,60,64H,2,5H2,1H3
InChIKeyQHKCNXRQZGHYPE-UHFFFAOYSA-N
XLogP17.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.23
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole with MolForge

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Related Compounds

4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134187059
9-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4a,9a-dihydrocarbazole
CID 166918873
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
9-[2-(4a,9a-dihydrocarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163606188
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170392649
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
9-[2-(3-phenylphenyl)-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659178

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole (CID 154971966) is 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole is CC1C=CC=CC1c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(C6=CCCC=C6)c5)c(-n5c6ccccc6c6ccccc65)c4)n3)cc2N2c3ccccc3C3C=CC=CC32)c1.
What is the InChIKey of 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole?
The InChIKey is QHKCNXRQZGHYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H53N5/c1-46-20-8-9-29-55(46)50-26-19-28-52(43-50)57-41-39-54(45-67(57)75-64-36-16-12-32-60(64)61-33-13-17-37-65(61)75)70-72-68(48-23-6-3-7-24-48)71-69(73-70)53-38-40-56(51-27-18-25-49(42-51)47-21-4-2-5-22-47)66(44-53)74-62-34-14-10-30-58(62)59-31-11-15-35-63(59)74/h3-4,6-46,55,60,64H,2,5H2,1H3.
What are the key properties of 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole?
9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole has a molecular weight of 964.23 g/mol, XLogP of 17.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 154971966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).