3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole

C59H38N4 — CID 170441357

IUPAC3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccccc3c3c2c(-c2cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c2)nn3-c2ccccc2)cc1
InChIInChI=1S/C59H38N4/c1-3-18-39(19-4-1)52-37-41-20-7-8-25-47(41)59-57(52)58(60-63(59)44-23-5-2-6-24-44)42-22-17-21-40(34-42)43-35-45(61-53-30-13-9-26-48(53)49-27-10-14-31-54(49)61)38-46(36-43)62-55-32-15-11-28-50(55)51-29-12-16-33-56(51)62/h1-38H
InChIKeyNIOSUPCARVFNQY-UHFFFAOYSA-N
MW802.98 g/mol
LogP15.37
Rot. Bonds6

About 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole

3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole (PubChem CID 170441357) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole.

Molecular Properties

Compound Name3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
PubChem CID170441357
Molecular FormulaC59H38N4
Molecular Weight802.98 g/mol
Exact Mass802.31
IUPAC Name3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccccc3c3c2c(-c2cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c2)nn3-c2ccccc2)cc1
InChIInChI=1S/C59H38N4/c1-3-18-39(19-4-1)52-37-41-20-7-8-25-47(41)59-57(52)58(60-63(59)44-23-5-2-6-24-44)42-22-17-21-40(34-42)43-35-45(61-53-30-13-9-26-48(53)49-27-10-14-31-54(49)61)38-46(36-43)62-55-32-15-11-28-50(55)51-29-12-16-33-56(51)62/h1-38H
InChIKeyNIOSUPCARVFNQY-UHFFFAOYSA-N
XLogP15.37
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole
CID 170441582
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
2-[3-(1,4-diphenylbenzo[g]indazol-3-yl)phenyl]-1,10-phenanthroline
CID 170441350
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643718
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441523
3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
CID 134236962
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole?
The IUPAC name of 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole (CID 170441357) is 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole.
What is the SMILES notation for 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole?
The canonical SMILES for 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole is c1ccc(-c2cc3ccccc3c3c2c(-c2cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c2)nn3-c2ccccc2)cc1.
What is the InChIKey of 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole?
The InChIKey is NIOSUPCARVFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-3-18-39(19-4-1)52-37-41-20-7-8-25-47(41)59-57(52)58(60-63(59)44-23-5-2-6-24-44)42-22-17-21-40(34-42)43-35-45(61-53-30-13-9-26-48(53)49-27-10-14-31-54(49)61)38-46(36-43)62-55-32-15-11-28-50(55)51-29-12-16-33-56(51)62/h1-38H.
What are the key properties of 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole?
3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole has a molecular weight of 802.98 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole is sourced from PubChem (CID 170441357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).