7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

C68H46N4OS — CID 160750154

IUPAC7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C68H46N4OS/c1-43-15-19-47(20-16-43)51-29-38-62-60(41-51)61-42-52(48-21-17-44(2)18-22-48)30-39-63(61)72(62)55-35-25-49(26-36-55)56-37-40-64(67-66(56)69-74-70-67)71(53-31-23-46(24-32-53)45-9-4-3-5-10-45)54-33-27-50(28-34-54)57-12-8-13-59-58-11-6-7-14-65(58)73-68(57)59/h3-42H,1-2H3
InChIKeyKPZWGCCVAOWUCE-UHFFFAOYSA-N
MW967.21 g/mol
LogP19.11
Rot. Bonds9

About 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 160750154) has the molecular formula C68H46N4OS and a molecular weight of 967.21 g/mol. Its IUPAC name is 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID160750154
Molecular FormulaC68H46N4OS
Molecular Weight967.21 g/mol
Exact Mass966.34
IUPAC Name7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C68H46N4OS/c1-43-15-19-47(20-16-43)51-29-38-62-60(41-51)61-42-52(48-21-17-44(2)18-22-48)30-39-63(61)72(62)55-35-25-49(26-36-55)56-37-40-64(67-66(56)69-74-70-67)71(53-31-23-46(24-32-53)45-9-4-3-5-10-45)54-33-27-50(28-34-54)57-12-8-13-59-58-11-6-7-14-65(58)73-68(57)59/h3-42H,1-2H3
InChIKeyKPZWGCCVAOWUCE-UHFFFAOYSA-N
XLogP19.11
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.21
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135956
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135880
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
7-[4-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135954
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155617414
7-[4-[3,6-bis[4-(4-tert-butylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135841
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-methylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 157318792
7-[4-[3,6-bis(4-methoxyphenyl)carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135859
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 89491956

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (CID 160750154) is 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4nsnc34)cc2)cc1.
What is the InChIKey of 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is KPZWGCCVAOWUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4OS/c1-43-15-19-47(20-16-43)51-29-38-62-60(41-51)61-42-52(48-21-17-44(2)18-22-48)30-39-63(61)72(62)55-35-25-49(26-36-55)56-37-40-64(67-66(56)69-74-70-67)71(53-31-23-46(24-32-53)45-9-4-3-5-10-45)54-33-27-50(28-34-54)57-12-8-13-59-58-11-6-7-14-65(58)73-68(57)59/h3-42H,1-2H3.
What are the key properties of 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 967.21 g/mol, XLogP of 19.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 160750154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).