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

C68H52N6 — CID 58921983

IUPACN-[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
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nccnc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H52N6/c1-45-15-35-63-59(41-45)60-42-46(2)16-36-64(60)73(63)57-31-27-55(28-32-57)71(51-11-7-5-8-12-51)53-23-19-49(20-24-53)67-68(70-40-39-69-67)50-21-25-54(26-22-50)72(52-13-9-6-10-14-52)56-29-33-58(34-30-56)74-65-37-17-47(3)43-61(65)62-44-48(4)18-38-66(62)74/h5-44H,1-4H3
InChIKeyINDOLDJZTPZSAB-UHFFFAOYSA-N
MW953.21 g/mol
LogP18.18
Rot. Bonds10

About 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

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 (PubChem CID 58921983) has the molecular formula C68H52N6 and a molecular weight of 953.21 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]pyrazin-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]pyrazin-2-yl]-N-phenylaniline
PubChem CID58921983
Molecular FormulaC68H52N6
Molecular Weight953.21 g/mol
Exact Mass952.43
IUPAC NameN-[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
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nccnc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H52N6/c1-45-15-35-63-59(41-45)60-42-46(2)16-36-64(60)73(63)57-31-27-55(28-32-57)71(51-11-7-5-8-12-51)53-23-19-49(20-24-53)67-68(70-40-39-69-67)50-21-25-54(26-22-50)72(52-13-9-6-10-14-52)56-29-33-58(34-30-56)74-65-37-17-47(3)43-61(65)62-44-48(4)18-38-66(62)74/h5-44H,1-4H3
InChIKeyINDOLDJZTPZSAB-UHFFFAOYSA-N
XLogP18.18
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.21
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
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-(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
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
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
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
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]pyrazin-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]pyrazin-2-yl]-N-phenylaniline (CID 58921983) is 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.
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]pyrazin-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]pyrazin-2-yl]-N-phenylaniline is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nccnc3-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]pyrazin-2-yl]-N-phenylaniline?
The InChIKey is INDOLDJZTPZSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N6/c1-45-15-35-63-59(41-45)60-42-46(2)16-36-64(60)73(63)57-31-27-55(28-32-57)71(51-11-7-5-8-12-51)53-23-19-49(20-24-53)67-68(70-40-39-69-67)50-21-25-54(26-22-50)72(52-13-9-6-10-14-52)56-29-33-58(34-30-56)74-65-37-17-47(3)43-61(65)62-44-48(4)18-38-66(62)74/h5-44H,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]pyrazin-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]pyrazin-2-yl]-N-phenylaniline has a molecular weight of 953.21 g/mol, XLogP of 18.18, 10 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]pyrazin-2-yl]-N-phenylaniline is sourced from PubChem (CID 58921983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).