9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole

C73H46N2 — CID 59236537

IUPAC9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C73H46N2/c1-3-15-55(16-4-1)74-69-25-13-9-21-61(69)63-43-51(37-41-71(63)74)47-27-31-49(32-28-47)53-35-39-59-60-40-36-54(46-68(60)73(67(59)45-53)65-23-11-7-19-57(65)58-20-8-12-24-66(58)73)50-33-29-48(30-34-50)52-38-42-72-64(44-52)62-22-10-14-26-70(62)75(72)56-17-5-2-6-18-56/h1-46H
InChIKeyMRYWKVGHHBZDAO-UHFFFAOYSA-N
MW951.19 g/mol
LogP18.89
Rot. Bonds6

About 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole (PubChem CID 59236537) has the molecular formula C73H46N2 and a molecular weight of 951.19 g/mol. Its IUPAC name is 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
PubChem CID59236537
Molecular FormulaC73H46N2
Molecular Weight951.19 g/mol
Exact Mass950.37
IUPAC Name9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C73H46N2/c1-3-15-55(16-4-1)74-69-25-13-9-21-61(69)63-43-51(37-41-71(63)74)47-27-31-49(32-28-47)53-35-39-59-60-40-36-54(46-68(60)73(67(59)45-53)65-23-11-7-19-57(65)58-20-8-12-24-66(58)73)50-33-29-48(30-34-50)52-38-42-72-64(44-52)62-22-10-14-26-70(62)75(72)56-17-5-2-6-18-56/h1-46H
InChIKeyMRYWKVGHHBZDAO-UHFFFAOYSA-N
XLogP18.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.19
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
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
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole (CID 59236537) is 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is MRYWKVGHHBZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2/c1-3-15-55(16-4-1)74-69-25-13-9-21-61(69)63-43-51(37-41-71(63)74)47-27-31-49(32-28-47)53-35-39-59-60-40-36-54(46-68(60)73(67(59)45-53)65-23-11-7-19-57(65)58-20-8-12-24-66(58)73)50-33-29-48(30-34-50)52-38-42-72-64(44-52)62-22-10-14-26-70(62)75(72)56-17-5-2-6-18-56/h1-46H.
What are the key properties of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole?
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 951.19 g/mol, XLogP of 18.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 59236537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).