[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone

C91H61N3O — CID 123415000

IUPAC[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone
SMILESO=C(c1cccc(-c2cccc(-c3c(-c4cccc(N5c6ccccc6C6C=CC=CC65)c4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C91H61N3O/c95-91(72-54-69(60-23-3-1-4-24-60)53-70(55-72)61-25-5-2-6-26-61)68-32-20-28-64(52-68)63-27-19-31-67(51-63)90-82(65-29-21-33-74(56-65)93-86-43-15-9-37-78(86)79-38-10-16-44-87(79)93)58-71(62-47-49-73(50-48-62)92-84-41-13-7-35-76(84)77-36-8-14-42-85(77)92)59-83(90)66-30-22-34-75(57-66)94-88-45-17-11-39-80(88)81-40-12-18-46-89(81)94/h1-59,78,86H
InChIKeyDRFHCCGBCHIRRY-UHFFFAOYSA-N
MW1212.51 g/mol
LogP23.51
Rot. Bonds12

About [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone

[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone (PubChem CID 123415000) has the molecular formula C91H61N3O and a molecular weight of 1212.51 g/mol. Its IUPAC name is [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone
PubChem CID123415000
Molecular FormulaC91H61N3O
Molecular Weight1212.51 g/mol
Exact Mass1211.48
IUPAC Name[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone
SMILESO=C(c1cccc(-c2cccc(-c3c(-c4cccc(N5c6ccccc6C6C=CC=CC65)c4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C91H61N3O/c95-91(72-54-69(60-23-3-1-4-24-60)53-70(55-72)61-25-5-2-6-26-61)68-32-20-28-64(52-68)63-27-19-31-67(51-63)90-82(65-29-21-33-74(56-65)93-86-43-15-9-37-78(86)79-38-10-16-44-87(79)93)58-71(62-47-49-73(50-48-62)92-84-41-13-7-35-76(84)77-36-8-14-42-85(77)92)59-83(90)66-30-22-34-75(57-66)94-88-45-17-11-39-80(88)81-40-12-18-46-89(81)94/h1-59,78,86H
InChIKeyDRFHCCGBCHIRRY-UHFFFAOYSA-N
XLogP23.51
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.51
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone with MolForge

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Related Compounds

9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
22-phenyl-8-[3-(4-phenylphenyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301370
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 174089262

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone?
The IUPAC name of [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone (CID 123415000) is [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone.
What is the SMILES notation for [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone?
The canonical SMILES for [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone is O=C(c1cccc(-c2cccc(-c3c(-c4cccc(N5c6ccccc6C6C=CC=CC65)c4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone?
The InChIKey is DRFHCCGBCHIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H61N3O/c95-91(72-54-69(60-23-3-1-4-24-60)53-70(55-72)61-25-5-2-6-26-61)68-32-20-28-64(52-68)63-27-19-31-67(51-63)90-82(65-29-21-33-74(56-65)93-86-43-15-9-37-78(86)79-38-10-16-44-87(79)93)58-71(62-47-49-73(50-48-62)92-84-41-13-7-35-76(84)77-36-8-14-42-85(77)92)59-83(90)66-30-22-34-75(57-66)94-88-45-17-11-39-80(88)81-40-12-18-46-89(81)94/h1-59,78,86H.
What are the key properties of [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone?
[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone has a molecular weight of 1212.51 g/mol, XLogP of 23.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone is sourced from PubChem (CID 123415000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).