N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C59H43N5 — CID 121337606

IUPACN-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)n1
InChIInChI=1S/C59H43N5/c1-40-18-9-11-26-49(40)57-60-58(50-27-12-10-19-41(50)2)62-59(61-57)53-30-14-13-28-51(53)44-22-17-25-47(38-44)63(46-34-32-43(33-35-46)42-20-5-3-6-21-42)48-36-37-56-54(39-48)52-29-15-16-31-55(52)64(56)45-23-7-4-8-24-45/h3-39H,1-2H3
InChIKeyWXDWCRAUBNZDNQ-UHFFFAOYSA-N
MW822.03 g/mol
LogP15.39
Rot. Bonds9

About N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 121337606) has the molecular formula C59H43N5 and a molecular weight of 822.03 g/mol. Its IUPAC name is N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID121337606
Molecular FormulaC59H43N5
Molecular Weight822.03 g/mol
Exact Mass821.35
IUPAC NameN-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)n1
InChIInChI=1S/C59H43N5/c1-40-18-9-11-26-49(40)57-60-58(50-27-12-10-19-41(50)2)62-59(61-57)53-30-14-13-28-51(53)44-22-17-25-47(38-44)63(46-34-32-43(33-35-46)42-20-5-3-6-21-42)48-36-37-56-54(39-48)52-29-15-16-31-55(52)64(56)45-23-7-4-8-24-45/h3-39H,1-2H3
InChIKeyWXDWCRAUBNZDNQ-UHFFFAOYSA-N
XLogP15.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.03
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730583
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730586
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730617
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 121337606) is N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is Cc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)n1.
What is the InChIKey of N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is WXDWCRAUBNZDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N5/c1-40-18-9-11-26-49(40)57-60-58(50-27-12-10-19-41(50)2)62-59(61-57)53-30-14-13-28-51(53)44-22-17-25-47(38-44)63(46-34-32-43(33-35-46)42-20-5-3-6-21-42)48-36-37-56-54(39-48)52-29-15-16-31-55(52)64(56)45-23-7-4-8-24-45/h3-39H,1-2H3.
What are the key properties of N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 822.03 g/mol, XLogP of 15.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 121337606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).