9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole

C44H32N2 — CID 144536430

IUPAC9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1cc(-c2ccc3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H32N2/c1-28-11-10-20-43-44(28)38-16-6-9-19-42(38)46(43)34-25-32(29-21-22-31-23-30-12-2-3-13-35(30)39(31)26-29)24-33(27-34)45-40-17-7-4-14-36(40)37-15-5-8-18-41(37)45/h2-10,12-22,24-28H,11,23H2,1H3
InChIKeyXWPRNNPKVAOOGE-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.49
Rot. Bonds3

About 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole

9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole (PubChem CID 144536430) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole
PubChem CID144536430
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1cc(-c2ccc3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H32N2/c1-28-11-10-20-43-44(28)38-16-6-9-19-42(38)46(43)34-25-32(29-21-22-31-23-30-12-2-3-13-35(30)39(31)26-29)24-33(27-34)45-40-17-7-4-14-36(40)37-15-5-8-18-41(37)45/h2-10,12-22,24-28H,11,23H2,1H3
InChIKeyXWPRNNPKVAOOGE-UHFFFAOYSA-N
XLogP11.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163468163
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile
CID 155086047
11-methyl-5-phenyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,11-dihydroindolo[2,3-b]carbazole
CID 162362953
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole
CID 166647626
9-[4-(6-tert-butyl-9H-fluoren-3-yl)phenyl]carbazole
CID 157409455
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 145060053

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole (CID 144536430) is 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole is CC1CC=Cc2c1c1ccccc1n2-c1cc(-c2ccc3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole?
The InChIKey is XWPRNNPKVAOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-28-11-10-20-43-44(28)38-16-6-9-19-42(38)46(43)34-25-32(29-21-22-31-23-30-12-2-3-13-35(30)39(31)26-29)24-33(27-34)45-40-17-7-4-14-36(40)37-15-5-8-18-41(37)45/h2-10,12-22,24-28H,11,23H2,1H3.
What are the key properties of 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole?
9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole has a molecular weight of 588.75 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9H-fluoren-3-yl)-5-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 144536430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).