3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole

C90H55N — CID 58988745

IUPAC3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc6c(c5)c5cc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)ccc5n6-c5ccccc5)ccc-3c24)cc1
InChIInChI=1S/C90H55N/c1-8-26-56(27-9-1)79-69-40-22-23-41-70(69)80(57-28-10-2-11-29-57)88-73-50-48-65(67-42-24-44-71(85(67)73)87(79)88)62-46-52-77-75(54-62)76-55-63(47-53-78(76)91(77)64-38-20-7-21-39-64)66-49-51-74-86-68(66)43-25-45-72(86)89-83(60-34-16-5-17-35-60)81(58-30-12-3-13-31-58)82(59-32-14-4-15-33-59)84(90(74)89)61-36-18-6-19-37-61/h1-55H
InChIKeyYGNGNNGMGPNAOP-UHFFFAOYSA-N
MW1150.44 g/mol
LogP24.87
Rot. Bonds9

About 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole

3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole (PubChem CID 58988745) has the molecular formula C90H55N and a molecular weight of 1150.44 g/mol. Its IUPAC name is 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole.

Molecular Properties

Compound Name3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
PubChem CID58988745
Molecular FormulaC90H55N
Molecular Weight1150.44 g/mol
Exact Mass1149.43
IUPAC Name3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc6c(c5)c5cc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)ccc5n6-c5ccccc5)ccc-3c24)cc1
InChIInChI=1S/C90H55N/c1-8-26-56(27-9-1)79-69-40-22-23-41-70(69)80(57-28-10-2-11-29-57)88-73-50-48-65(67-42-24-44-71(85(67)73)87(79)88)62-46-52-77-75(54-62)76-55-63(47-53-78(76)91(77)64-38-20-7-21-39-64)66-49-51-74-86-68(66)43-25-45-72(86)89-83(60-34-16-5-17-35-60)81(58-30-12-3-13-31-58)82(59-32-14-4-15-33-59)84(90(74)89)61-36-18-6-19-37-61/h1-55H
InChIKeyYGNGNNGMGPNAOP-UHFFFAOYSA-N
XLogP24.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.44
LogP ≤ 524.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole?
The IUPAC name of 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole (CID 58988745) is 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole.
What is the SMILES notation for 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole?
The canonical SMILES for 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4c(-c5ccc6c(c5)c5cc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8ccccc8c7-c7ccccc7)ccc5n6-c5ccccc5)ccc-3c24)cc1.
What is the InChIKey of 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole?
The InChIKey is YGNGNNGMGPNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H55N/c1-8-26-56(27-9-1)79-69-40-22-23-41-70(69)80(57-28-10-2-11-29-57)88-73-50-48-65(67-42-24-44-71(85(67)73)87(79)88)62-46-52-77-75(54-62)76-55-63(47-53-78(76)91(77)64-38-20-7-21-39-64)66-49-51-74-86-68(66)43-25-45-72(86)89-83(60-34-16-5-17-35-60)81(58-30-12-3-13-31-58)82(59-32-14-4-15-33-59)84(90(74)89)61-36-18-6-19-37-61/h1-55H.
What are the key properties of 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole?
3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole has a molecular weight of 1150.44 g/mol, XLogP of 24.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole is sourced from PubChem (CID 58988745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).