9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole

C91H82N4 — CID 88855637

IUPAC9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole
SMILESCc1cc2c(cc1CCCCCCCCc1ccc3c(c1)c1ccccc1n3-c1ccc(-n3c4ccccc4c4ccccc43)cc1)-c1cc(CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)cc1C2
InChIInChI=1S/C91H82N4/c1-62-55-68-59-69-56-63(2)67(30-14-10-6-4-8-12-28-65-44-54-91-83(58-65)79-36-20-26-42-89(79)95(91)73-51-47-71(48-52-73)93-86-39-23-17-33-76(86)77-34-18-24-40-87(77)93)61-81(69)80(68)60-66(62)29-13-9-5-3-7-11-27-64-43-53-90-82(57-64)78-35-19-25-41-88(78)94(90)72-49-45-70(46-50-72)92-84-37-21-15-31-74(84)75-32-16-22-38-85(75)92/h15-26,31-58,60-61H,3-14,27-30,59H2,1-2H3
InChIKeyDKSDMQWFSCGKMS-UHFFFAOYSA-N
MW1231.69 g/mol
LogP24.51
Rot. Bonds22

About 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole

9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole (PubChem CID 88855637) has the molecular formula C91H82N4 and a molecular weight of 1231.69 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole.

Molecular Properties

Compound Name9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole
PubChem CID88855637
Molecular FormulaC91H82N4
Molecular Weight1231.69 g/mol
Exact Mass1230.65
IUPAC Name9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole
SMILESCc1cc2c(cc1CCCCCCCCc1ccc3c(c1)c1ccccc1n3-c1ccc(-n3c4ccccc4c4ccccc43)cc1)-c1cc(CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)cc1C2
InChIInChI=1S/C91H82N4/c1-62-55-68-59-69-56-63(2)67(30-14-10-6-4-8-12-28-65-44-54-91-83(58-65)79-36-20-26-42-89(79)95(91)73-51-47-71(48-52-73)93-86-39-23-17-33-76(86)77-34-18-24-40-87(77)93)61-81(69)80(68)60-66(62)29-13-9-5-3-7-11-27-64-43-53-90-82(57-64)78-35-19-25-41-88(78)94(90)72-49-45-70(46-50-72)92-84-37-21-15-31-74(84)75-32-16-22-38-85(75)92/h15-26,31-58,60-61H,3-14,27-30,59H2,1-2H3
InChIKeyDKSDMQWFSCGKMS-UHFFFAOYSA-N
XLogP24.51
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.69
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole with MolForge

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Related Compounds

4-[8-[2,7-dimethyl-6-[8-[4-(N-phenylanilino)phenyl]octyl]-9H-fluoren-3-yl]octyl]-N,N-diphenylaniline
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9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 59273670
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
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9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole?
The IUPAC name of 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole (CID 88855637) is 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole.
What is the SMILES notation for 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole?
The canonical SMILES for 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole is Cc1cc2c(cc1CCCCCCCCc1ccc3c(c1)c1ccccc1n3-c1ccc(-n3c4ccccc4c4ccccc43)cc1)-c1cc(CCCCCCCCc3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)cc1C2.
What is the InChIKey of 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole?
The InChIKey is DKSDMQWFSCGKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H82N4/c1-62-55-68-59-69-56-63(2)67(30-14-10-6-4-8-12-28-65-44-54-91-83(58-65)79-36-20-26-42-89(79)95(91)73-51-47-71(48-52-73)93-86-39-23-17-33-76(86)77-34-18-24-40-87(77)93)61-81(69)80(68)60-66(62)29-13-9-5-3-7-11-27-64-43-53-90-82(57-64)78-35-19-25-41-88(78)94(90)72-49-45-70(46-50-72)92-84-37-21-15-31-74(84)75-32-16-22-38-85(75)92/h15-26,31-58,60-61H,3-14,27-30,59H2,1-2H3.
What are the key properties of 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole?
9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole has a molecular weight of 1231.69 g/mol, XLogP of 24.51, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-ylphenyl)-3-[8-[6-[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2,7-dimethyl-9H-fluoren-3-yl]octyl]carbazole is sourced from PubChem (CID 88855637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).