8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole

C59H38N4 — CID 170441582

IUPAC8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C59H38N4/c1-4-18-39(19-5-1)51-37-42-33-32-41(36-52(42)59-57(51)58(40-20-6-2-7-21-40)60-63(59)44-22-8-3-9-23-44)43-34-45(61-53-28-14-10-24-47(53)48-25-11-15-29-54(48)61)38-46(35-43)62-55-30-16-12-26-49(55)50-27-13-17-31-56(50)62/h1-38H
InChIKeyJUSQPNVDJNKMRP-UHFFFAOYSA-N
MW802.98 g/mol
LogP15.37
Rot. Bonds6

About 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole

8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441582) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441582
Molecular FormulaC59H38N4
Molecular Weight802.98 g/mol
Exact Mass802.31
IUPAC Name8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C59H38N4/c1-4-18-39(19-5-1)51-37-42-33-32-41(36-52(42)59-57(51)58(40-20-6-2-7-21-40)60-63(59)44-22-8-3-9-23-44)43-34-45(61-53-28-14-10-24-47(53)48-25-11-15-29-54(48)61)38-46(35-43)62-55-30-16-12-26-49(55)50-27-13-17-31-56(50)62/h1-38H
InChIKeyJUSQPNVDJNKMRP-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

3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441357
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441523
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole (CID 170441582) is 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2cc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is JUSQPNVDJNKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-4-18-39(19-5-1)51-37-42-33-32-41(36-52(42)59-57(51)58(40-20-6-2-7-21-40)60-63(59)44-22-8-3-9-23-44)43-34-45(61-53-28-14-10-24-47(53)48-25-11-15-29-54(48)61)38-46(35-43)62-55-30-16-12-26-49(55)50-27-13-17-31-56(50)62/h1-38H.
What are the key properties of 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole?
8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[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 8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).