9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole

C45H33N — CID 142356553

IUPAC9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-c2cc(CCC3c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C45H33N/c1-3-13-32(14-4-1)34-27-31(28-35(29-34)33-15-5-2-6-16-33)23-25-39-37-17-7-8-18-38(37)43-30-36(24-26-40(39)43)46-44-21-11-9-19-41(44)42-20-10-12-22-45(42)46/h1-22,24,26-30,39H,23,25H2
InChIKeyFWBMVAYISDOOHY-UHFFFAOYSA-N
MW587.77 g/mol
LogP11.86
Rot. Bonds6

About 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole

9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole (PubChem CID 142356553) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole
PubChem CID142356553
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC Name9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-c2cc(CCC3c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C45H33N/c1-3-13-32(14-4-1)34-27-31(28-35(29-34)33-15-5-2-6-16-33)23-25-39-37-17-7-8-18-38(37)43-30-36(24-26-40(39)43)46-44-21-11-9-19-41(44)42-20-10-12-22-45(42)46/h1-22,24,26-30,39H,23,25H2
InChIKeyFWBMVAYISDOOHY-UHFFFAOYSA-N
XLogP11.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline
CID 155323196
9-(4-phenylphenyl)-3-[9-[2-(3-phenylphenyl)ethyl]-9H-fluoren-4-yl]carbazole
CID 142356508
9-[4-(9H-fluoren-9-yl)-3-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 162124636
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
4-phenyl-9-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 171458068
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368

Frequently Asked Questions

What is the IUPAC name of 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole?
The IUPAC name of 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole (CID 142356553) is 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole is c1ccc(-c2cc(CCC3c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole?
The InChIKey is FWBMVAYISDOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-3-13-32(14-4-1)34-27-31(28-35(29-34)33-15-5-2-6-16-33)23-25-39-37-17-7-8-18-38(37)43-30-36(24-26-40(39)43)46-44-21-11-9-19-41(44)42-20-10-12-22-45(42)46/h1-22,24,26-30,39H,23,25H2.
What are the key properties of 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole?
9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole has a molecular weight of 587.77 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 142356553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).