3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole

C55H36N2 — CID 59307089

IUPAC3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)cc32)cc1
InChIInChI=1S/C55H36N2/c1-3-13-40(14-4-1)55(41-15-5-2-6-16-41)49-20-10-7-17-43(49)44-30-25-39(35-50(44)55)38-27-32-52-48(34-38)47-33-37(26-31-51(47)56-52)36-23-28-42(29-24-36)57-53-21-11-8-18-45(53)46-19-9-12-22-54(46)57/h1-35,56H
InChIKeyWXQIIGAGNSDORZ-UHFFFAOYSA-N
MW724.91 g/mol
LogP14.12
Rot. Bonds5

About 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole

3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole (PubChem CID 59307089) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
PubChem CID59307089
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)cc32)cc1
InChIInChI=1S/C55H36N2/c1-3-13-40(14-4-1)55(41-15-5-2-6-16-41)49-20-10-7-17-43(49)44-30-25-39(35-50(44)55)38-27-32-52-48(34-38)47-33-37(26-31-51(47)56-52)36-23-28-42(29-24-36)57-53-21-11-8-18-45(53)46-19-9-12-22-54(46)57/h1-35,56H
InChIKeyWXQIIGAGNSDORZ-UHFFFAOYSA-N
XLogP14.12
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 514.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole (CID 59307089) is 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)cc32)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole?
The InChIKey is WXQIIGAGNSDORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-3-13-40(14-4-1)55(41-15-5-2-6-16-41)49-20-10-7-17-43(49)44-30-25-39(35-50(44)55)38-27-32-52-48(34-38)47-33-37(26-31-51(47)56-52)36-23-28-42(29-24-36)57-53-21-11-8-18-45(53)46-19-9-12-22-54(46)57/h1-35,56H.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole?
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole has a molecular weight of 724.91 g/mol, XLogP of 14.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole is sourced from PubChem (CID 59307089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).