9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole

C74H46N4 — CID 58500843

IUPAC9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc3ccccc32)cc1
InChIInChI=1S/C74H46N4/c1-2-20-52(21-3-1)78-72-37-19-14-32-67(72)75-73(78)51-41-48(47-38-39-58-57-24-6-13-31-65(57)74(66(58)45-47)63-29-11-4-22-55(63)56-23-5-12-30-64(56)74)40-49(42-51)50-43-53(76-68-33-15-7-25-59(68)60-26-8-16-34-69(60)76)46-54(44-50)77-70-35-17-9-27-61(70)62-28-10-18-36-71(62)77/h1-46H
InChIKeyBIHMHJXULRPAAU-UHFFFAOYSA-N
MW991.21 g/mol
LogP18.56
Rot. Bonds6

About 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole (PubChem CID 58500843) has the molecular formula C74H46N4 and a molecular weight of 991.21 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
PubChem CID58500843
Molecular FormulaC74H46N4
Molecular Weight991.21 g/mol
Exact Mass990.37
IUPAC Name9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc3ccccc32)cc1
InChIInChI=1S/C74H46N4/c1-2-20-52(21-3-1)78-72-37-19-14-32-67(72)75-73(78)51-41-48(47-38-39-58-57-24-6-13-31-65(57)74(66(58)45-47)63-29-11-4-22-55(63)56-23-5-12-30-64(56)74)40-49(42-51)50-43-53(76-68-33-15-7-25-59(68)60-26-8-16-34-69(60)76)46-54(44-50)77-70-35-17-9-27-61(70)62-28-10-18-36-71(62)77/h1-46H
InChIKeyBIHMHJXULRPAAU-UHFFFAOYSA-N
XLogP18.56
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.21
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
1-(4-phenylphenyl)-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-ylbenzimidazole
CID 134528323
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
CID 23590277
CID 23590277
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole (CID 58500843) is 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole is c1ccc(-n2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole?
The InChIKey is BIHMHJXULRPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N4/c1-2-20-52(21-3-1)78-72-37-19-14-32-67(72)75-73(78)51-41-48(47-38-39-58-57-24-6-13-31-65(57)74(66(58)45-47)63-29-11-4-22-55(63)56-23-5-12-30-64(56)74)40-49(42-51)50-43-53(76-68-33-15-7-25-59(68)60-26-8-16-34-69(60)76)46-54(44-50)77-70-35-17-9-27-61(70)62-28-10-18-36-71(62)77/h1-46H.
What are the key properties of 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole has a molecular weight of 991.21 g/mol, XLogP of 18.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58500843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).