9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole

C61H38N2 — CID 59217021

IUPAC9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C61H38N2/c1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)55-37-41(39-25-31-43(32-26-39)62-57-21-9-3-15-49(57)50-16-4-10-22-58(50)62)29-35-47(55)48-36-30-42(38-56(48)61)40-27-33-44(34-28-40)63-59-23-11-5-17-51(59)52-18-6-12-24-60(52)63/h1-38H
InChIKeyZZYBFZUHWIMQBP-UHFFFAOYSA-N
MW798.99 g/mol
LogP15.56
Rot. Bonds4

About 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole

9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole (PubChem CID 59217021) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
PubChem CID59217021
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC Name9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C61H38N2/c1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)55-37-41(39-25-31-43(32-26-39)62-57-21-9-3-15-49(57)50-16-4-10-22-58(50)62)29-35-47(55)48-36-30-42(38-56(48)61)40-27-33-44(34-28-40)63-59-23-11-5-17-51(59)52-18-6-12-24-60(52)63/h1-38H
InChIKeyZZYBFZUHWIMQBP-UHFFFAOYSA-N
XLogP15.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylphenyl)carbazole
CID 134528123
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
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
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-9H-carbazole
CID 59307089
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967

Frequently Asked Questions

What is the IUPAC name of 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole (CID 59217021) is 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is ZZYBFZUHWIMQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2/c1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)55-37-41(39-25-31-43(32-26-39)62-57-21-9-3-15-49(57)50-16-4-10-22-58(50)62)29-35-47(55)48-36-30-42(38-56(48)61)40-27-33-44(34-28-40)63-59-23-11-5-17-51(59)52-18-6-12-24-60(52)63/h1-38H.
What are the key properties of 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 798.99 g/mol, XLogP of 15.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 59217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).