3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole

C48H33N5O2 — CID 101405033

IUPAC3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccc3c(c2)c2cc(-c4nc5ccccc5nc4-c4ccc(OC)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H33N5O2/c1-54-35-22-16-30(17-23-35)45-47(51-41-14-8-6-12-39(41)49-45)32-20-26-43-37(28-32)38-29-33(21-27-44(38)53(43)34-10-4-3-5-11-34)48-46(31-18-24-36(55-2)25-19-31)50-40-13-7-9-15-42(40)52-48/h3-29H,1-2H3
InChIKeySUFODSRMXCETLY-UHFFFAOYSA-N
MW711.83 g/mol
LogP11.36
Rot. Bonds7

About 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole

3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole (PubChem CID 101405033) has the molecular formula C48H33N5O2 and a molecular weight of 711.83 g/mol. Its IUPAC name is 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole
PubChem CID101405033
Molecular FormulaC48H33N5O2
Molecular Weight711.83 g/mol
Exact Mass711.26
IUPAC Name3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccc3c(c2)c2cc(-c4nc5ccccc5nc4-c4ccc(OC)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H33N5O2/c1-54-35-22-16-30(17-23-35)45-47(51-41-14-8-6-12-39(41)49-45)32-20-26-43-37(28-32)38-29-33(21-27-44(38)53(43)34-10-4-3-5-11-34)48-46(31-18-24-36(55-2)25-19-31)50-40-13-7-9-15-42(40)52-48/h3-29H,1-2H3
InChIKeySUFODSRMXCETLY-UHFFFAOYSA-N
XLogP11.36
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.83
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259764
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489448
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474855
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane
CID 157135104

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole (CID 101405033) is 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole is COc1ccc(-c2nc3ccccc3nc2-c2ccc3c(c2)c2cc(-c4nc5ccccc5nc4-c4ccc(OC)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
The InChIKey is SUFODSRMXCETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5O2/c1-54-35-22-16-30(17-23-35)45-47(51-41-14-8-6-12-39(41)49-45)32-20-26-43-37(28-32)38-29-33(21-27-44(38)53(43)34-10-4-3-5-11-34)48-46(31-18-24-36(55-2)25-19-31)50-40-13-7-9-15-42(40)52-48/h3-29H,1-2H3.
What are the key properties of 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole?
3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole has a molecular weight of 711.83 g/mol, XLogP of 11.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 101405033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).