9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)

C62H48N2 — CID 144541446

IUPAC9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
SMILESC=CC.C=CC.c1cc(-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc(-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)c1
InChIInChI=1S/C56H36N2.2C3H6/c1-5-16-53-45(12-1)46-13-2-6-17-54(46)57(53)43-26-24-41-29-39-22-20-37(31-49(39)51(41)33-43)35-10-9-11-36(28-35)38-21-23-40-30-42-25-27-44(34-52(42)50(40)32-38)58-55-18-7-3-14-47(55)48-15-4-8-19-56(48)58;2*1-3-2/h1-28,31-34H,29-30H2;2*3H,1H2,2H3
InChIKeyFSOPVAVMWBLISQ-UHFFFAOYSA-N
MW821.08 g/mol
LogP16.74
Rot. Bonds4

About 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)

9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene) (PubChem CID 144541446) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene).

Molecular Properties

Compound Name9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
PubChem CID144541446
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC Name9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
SMILESC=CC.C=CC.c1cc(-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc(-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)c1
InChIInChI=1S/C56H36N2.2C3H6/c1-5-16-53-45(12-1)46-13-2-6-17-54(46)57(53)43-26-24-41-29-39-22-20-37(31-49(39)51(41)33-43)35-10-9-11-36(28-35)38-21-23-40-30-42-25-27-44(34-52(42)50(40)32-38)58-55-18-7-3-14-47(55)48-15-4-8-19-56(48)58;2*1-3-2/h1-28,31-34H,29-30H2;2*3H,1H2,2H3
InChIKeyFSOPVAVMWBLISQ-UHFFFAOYSA-N
XLogP16.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
CID 130409444
3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole
CID 155111390
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606
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-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
CID 159346046
9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)?
The IUPAC name of 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene) (CID 144541446) is 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene).
What is the SMILES notation for 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)?
The canonical SMILES for 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene) is C=CC.C=CC.c1cc(-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc(-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)c1.
What is the InChIKey of 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)?
The InChIKey is FSOPVAVMWBLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.2C3H6/c1-5-16-53-45(12-1)46-13-2-6-17-54(46)57(53)43-26-24-41-29-39-22-20-37(31-49(39)51(41)33-43)35-10-9-11-36(28-35)38-21-23-40-30-42-25-27-44(34-52(42)50(40)32-38)58-55-18-7-3-14-47(55)48-15-4-8-19-56(48)58;2*1-3-2/h1-28,31-34H,29-30H2;2*3H,1H2,2H3.
What are the key properties of 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)?
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene) has a molecular weight of 821.08 g/mol, XLogP of 16.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene) is sourced from PubChem (CID 144541446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).