9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine

C140H96N14S — CID 158361594

IUPAC9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine
SMILESCc1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(N(c6ccccc6)c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C49H32N4S.C46H33N5.C45H31N5/c1-2-13-34(14-3-1)51(35-29-31-37(32-30-35)52-42-19-8-4-15-38(42)39-16-5-9-20-43(39)52)45-22-12-23-46-48(45)40-17-6-10-21-44(40)53(46)36-27-25-33(26-28-36)49-50-41-18-7-11-24-47(41)54-49;1-32-24-28-37(29-25-32)50(36-18-9-4-10-19-36)41-22-13-23-42-43(41)39-20-11-12-21-40(39)51(42)38-30-26-35(27-31-38)46-48-44(33-14-5-2-6-15-33)47-45(49-46)34-16-7-3-8-17-34;1-5-16-32(17-6-1)43-46-44(33-18-7-2-8-19-33)48-45(47-43)34-28-30-37(31-29-34)50-39-25-14-13-24-38(39)42-40(26-15-27-41(42)50)49(35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-32H;2-31H,1H3;1-31H
InChIKeyGTNMNGPVOHMFJK-UHFFFAOYSA-N
MW2006.47 g/mol
LogP36.81
Rot. Bonds20

About 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine

9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine (PubChem CID 158361594) has the molecular formula C140H96N14S and a molecular weight of 2006.47 g/mol. Its IUPAC name is 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine.

Molecular Properties

Compound Name9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine
PubChem CID158361594
Molecular FormulaC140H96N14S
Molecular Weight2006.47 g/mol
Exact Mass2004.77
IUPAC Name9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine
SMILESCc1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(N(c6ccccc6)c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C49H32N4S.C46H33N5.C45H31N5/c1-2-13-34(14-3-1)51(35-29-31-37(32-30-35)52-42-19-8-4-15-38(42)39-16-5-9-20-43(39)52)45-22-12-23-46-48(45)40-17-6-10-21-44(40)53(46)36-27-25-33(26-28-36)49-50-41-18-7-11-24-47(41)54-49;1-32-24-28-37(29-25-32)50(36-18-9-4-10-19-36)41-22-13-23-42-43(41)39-20-11-12-21-40(39)51(42)38-30-26-35(27-31-38)46-48-44(33-14-5-2-6-15-33)47-45(49-46)34-16-7-3-8-17-34;1-5-16-32(17-6-1)43-46-44(33-18-7-2-8-19-33)48-45(47-43)34-28-30-37(31-29-34)50-39-25-14-13-24-38(39)42-40(26-15-27-41(42)50)49(35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-32H;2-31H,1H3;1-31H
InChIKeyGTNMNGPVOHMFJK-UHFFFAOYSA-N
XLogP36.81
TPSA119.67 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.47
LogP ≤ 536.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine with MolForge

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Related Compounds

9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 126585577
9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
2-[2,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 139545102
7-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-(9-phenylcarbazol-3-yl)-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 170267406
N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158722839
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 147296316
N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59707513
2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578
2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzothiazole
CID 147953045
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3-benzothiazole
CID 162481752
7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
CID 162483420

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine?
The IUPAC name of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine (CID 158361594) is 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine.
What is the SMILES notation for 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine?
The canonical SMILES for 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine is Cc1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(N(c6ccccc6)c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine?
The InChIKey is GTNMNGPVOHMFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S.C46H33N5.C45H31N5/c1-2-13-34(14-3-1)51(35-29-31-37(32-30-35)52-42-19-8-4-15-38(42)39-16-5-9-20-43(39)52)45-22-12-23-46-48(45)40-17-6-10-21-44(40)53(46)36-27-25-33(26-28-36)49-50-41-18-7-11-24-47(41)54-49;1-32-24-28-37(29-25-32)50(36-18-9-4-10-19-36)41-22-13-23-42-43(41)39-20-11-12-21-40(39)51(42)38-30-26-35(27-31-38)46-48-44(33-14-5-2-6-15-33)47-45(49-46)34-16-7-3-8-17-34;1-5-16-32(17-6-1)43-46-44(33-18-7-2-8-19-33)48-45(47-43)34-28-30-37(31-29-34)50-39-25-14-13-24-38(39)42-40(26-15-27-41(42)50)49(35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-32H;2-31H,1H3;1-31H.
What are the key properties of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine?
9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine has a molecular weight of 2006.47 g/mol, XLogP of 36.81, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-4-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-4-amine is sourced from PubChem (CID 158361594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).