N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline

C80H60N6 — CID 118029528

IUPACN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C80H60N6/c1-53-25-45-73-69(49-53)70-50-54(2)26-46-74(70)85(73)67-41-37-65(38-42-67)83(61-21-13-7-14-22-61)63-33-29-59(30-34-63)79-80(82-78(58-19-11-6-12-20-58)77(81-79)57-17-9-5-10-18-57)60-31-35-64(36-32-60)84(62-23-15-8-16-24-62)66-39-43-68(44-40-66)86-75-47-27-55(3)51-71(75)72-52-56(4)28-48-76(72)86/h5-52H,1-4H3
InChIKeyMVIVGNNMDDIFSW-UHFFFAOYSA-N
MW1105.40 g/mol
LogP21.51
Rot. Bonds12

About N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline

N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline (PubChem CID 118029528) has the molecular formula C80H60N6 and a molecular weight of 1105.40 g/mol. Its IUPAC name is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
PubChem CID118029528
Molecular FormulaC80H60N6
Molecular Weight1105.40 g/mol
Exact Mass1104.49
IUPAC NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C80H60N6/c1-53-25-45-73-69(49-53)70-50-54(2)26-46-74(70)85(73)67-41-37-65(38-42-67)83(61-21-13-7-14-22-61)63-33-29-59(30-34-63)79-80(82-78(58-19-11-6-12-20-58)77(81-79)57-17-9-5-10-18-57)60-31-35-64(36-32-60)84(62-23-15-8-16-24-62)66-39-43-68(44-40-66)86-75-47-27-55(3)51-71(75)72-52-56(4)28-48-76(72)86/h5-52H,1-4H3
InChIKeyMVIVGNNMDDIFSW-UHFFFAOYSA-N
XLogP21.51
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.40
LogP ≤ 521.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]pyrazin-2-yl]-N-phenylaniline
CID 58921983
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline
CID 155483229
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
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
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline?
The IUPAC name of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline (CID 118029528) is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline?
The canonical SMILES for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline?
The InChIKey is MVIVGNNMDDIFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N6/c1-53-25-45-73-69(49-53)70-50-54(2)26-46-74(70)85(73)67-41-37-65(38-42-67)83(61-21-13-7-14-22-61)63-33-29-59(30-34-63)79-80(82-78(58-19-11-6-12-20-58)77(81-79)57-17-9-5-10-18-57)60-31-35-64(36-32-60)84(62-23-15-8-16-24-62)66-39-43-68(44-40-66)86-75-47-27-55(3)51-71(75)72-52-56(4)28-48-76(72)86/h5-52H,1-4H3.
What are the key properties of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline?
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline has a molecular weight of 1105.40 g/mol, XLogP of 21.51, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline is sourced from PubChem (CID 118029528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).