4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline

C86H60Br2N4 — CID 58113374

IUPAC4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline
SMILESCc1cc(Br)ccc1N(c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc(Br)cc3C)cc2)cc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C86H60Br2N4/c1-57-51-69(87)35-49-81(57)89(75-41-27-63(28-42-75)67-33-47-85-79(55-67)77-53-65(59-15-7-3-8-16-59)31-45-83(77)91(85)71-19-11-5-12-20-71)73-37-23-61(24-38-73)62-25-39-74(40-26-62)90(82-50-36-70(88)52-58(82)2)76-43-29-64(30-44-76)68-34-48-86-80(56-68)78-54-66(60-17-9-4-10-18-60)32-46-84(78)92(86)72-21-13-6-14-22-72/h3-56H,1-2H3
InChIKeyZTKRVHPMOPLHFK-UHFFFAOYSA-N
MW1309.26 g/mol
LogP25.30
Rot. Bonds13

About 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline

4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline (PubChem CID 58113374) has the molecular formula C86H60Br2N4 and a molecular weight of 1309.26 g/mol. Its IUPAC name is 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline
PubChem CID58113374
Molecular FormulaC86H60Br2N4
Molecular Weight1309.26 g/mol
Exact Mass1306.32
IUPAC Name4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline
SMILESCc1cc(Br)ccc1N(c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc(Br)cc3C)cc2)cc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C86H60Br2N4/c1-57-51-69(87)35-49-81(57)89(75-41-27-63(28-42-75)67-33-47-85-79(55-67)77-53-65(59-15-7-3-8-16-59)31-45-83(77)91(85)71-19-11-5-12-20-71)73-37-23-61(24-38-73)62-25-39-74(40-26-62)90(82-50-36-70(88)52-58(82)2)76-43-29-64(30-44-76)68-34-48-86-80(56-68)78-54-66(60-17-9-4-10-18-60)32-46-84(78)92(86)72-21-13-6-14-22-72/h3-56H,1-2H3
InChIKeyZTKRVHPMOPLHFK-UHFFFAOYSA-N
XLogP25.30
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.26
LogP ≤ 525.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline (CID 58113374) is 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline is Cc1cc(Br)ccc1N(c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc(Br)cc3C)cc2)cc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline?
The InChIKey is ZTKRVHPMOPLHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60Br2N4/c1-57-51-69(87)35-49-81(57)89(75-41-27-63(28-42-75)67-33-47-85-79(55-67)77-53-65(59-15-7-3-8-16-59)31-45-83(77)91(85)71-19-11-5-12-20-71)73-37-23-61(24-38-73)62-25-39-74(40-26-62)90(82-50-36-70(88)52-58(82)2)76-43-29-64(30-44-76)68-34-48-86-80(56-68)78-54-66(60-17-9-4-10-18-60)32-46-84(78)92(86)72-21-13-6-14-22-72/h3-56H,1-2H3.
What are the key properties of 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline?
4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline has a molecular weight of 1309.26 g/mol, XLogP of 25.30, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline is sourced from PubChem (CID 58113374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).