5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C57H39N3 — CID 146392145

IUPAC5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2nc(-c3ccccc3)c(-c3cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc21
InChIInChI=1S/C57H39N3/c1-57(2)49-34-42(38-29-27-37(28-30-38)36-15-5-3-6-16-36)31-32-47(49)55-56(57)59-54(53(58-55)39-17-7-4-8-18-39)46-24-13-23-44-43(46)22-14-26-51(44)60-50-25-12-11-21-45(50)48-33-40-19-9-10-20-41(40)35-52(48)60/h3-35H,1-2H3
InChIKeyFQNJIDHLDPZHNY-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.85
Rot. Bonds5

About 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146392145) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID146392145
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2nc(-c3ccccc3)c(-c3cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc21
InChIInChI=1S/C57H39N3/c1-57(2)49-34-42(38-29-27-37(28-30-38)36-15-5-3-6-16-36)31-32-47(49)55-56(57)59-54(53(58-55)39-17-7-4-8-18-39)46-24-13-23-44-43(46)22-14-26-51(44)60-50-25-12-11-21-45(50)48-33-40-19-9-10-20-41(40)35-52(48)60/h3-35H,1-2H3
InChIKeyFQNJIDHLDPZHNY-UHFFFAOYSA-N
XLogP14.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[9,9-dimethyl-7-phenyl-3-(9-phenylcarbazol-2-yl)indeno[1,2-b]pyrazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 146392066
1-benzo[b]carbazol-5-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[b]carbazol-5-yl-5-[5-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158497164
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368
5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 170259879
5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole
CID 137433463
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184

Frequently Asked Questions

What is the IUPAC name of 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146392145) is 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2nc(-c3ccccc3)c(-c3cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc21.
What is the InChIKey of 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is FQNJIDHLDPZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-57(2)49-34-42(38-29-27-37(28-30-38)36-15-5-3-6-16-36)31-32-47(49)55-56(57)59-54(53(58-55)39-17-7-4-8-18-39)46-24-13-23-44-43(46)22-14-26-51(44)60-50-25-12-11-21-45(50)48-33-40-19-9-10-20-41(40)35-52(48)60/h3-35H,1-2H3.
What are the key properties of 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 765.96 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[9,9-dimethyl-3-phenyl-7-(4-phenylphenyl)indeno[1,2-b]pyrazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146392145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).