4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline

C78H84N4 — CID 153306944

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1
InChIInChI=1S/C78H84N4/c1-73(2,3)49-19-37-67-61(43-49)62-44-50(74(4,5)6)20-38-68(62)80(67)58-31-25-55(26-32-58)79(56-27-33-59(34-28-56)81-69-39-21-51(75(7,8)9)45-63(69)64-46-52(76(10,11)12)22-40-70(64)81)57-29-35-60(36-30-57)82-71-41-23-53(77(13,14)15)47-65(71)66-48-54(78(16,17)18)24-42-72(66)82/h19-48H,1-18H3
InChIKeySAECTFBERDVOOW-UHFFFAOYSA-N
MW1077.56 g/mol
LogP22.23
Rot. Bonds6

About 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline

4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline (PubChem CID 153306944) has the molecular formula C78H84N4 and a molecular weight of 1077.56 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
PubChem CID153306944
Molecular FormulaC78H84N4
Molecular Weight1077.56 g/mol
Exact Mass1076.67
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1
InChIInChI=1S/C78H84N4/c1-73(2,3)49-19-37-67-61(43-49)62-44-50(74(4,5)6)20-38-68(62)80(67)58-31-25-55(26-32-58)79(56-27-33-59(34-28-56)81-69-39-21-51(75(7,8)9)45-63(69)64-46-52(76(10,11)12)22-40-70(64)81)57-29-35-60(36-30-57)82-71-41-23-53(77(13,14)15)47-65(71)66-48-54(78(16,17)18)24-42-72(66)82/h19-48H,1-18H3
InChIKeySAECTFBERDVOOW-UHFFFAOYSA-N
XLogP22.23
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.56
LogP ≤ 522.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline (CID 153306944) is 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
The InChIKey is SAECTFBERDVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H84N4/c1-73(2,3)49-19-37-67-61(43-49)62-44-50(74(4,5)6)20-38-68(62)80(67)58-31-25-55(26-32-58)79(56-27-33-59(34-28-56)81-69-39-21-51(75(7,8)9)45-63(69)64-46-52(76(10,11)12)22-40-70(64)81)57-29-35-60(36-30-57)82-71-41-23-53(77(13,14)15)47-65(71)66-48-54(78(16,17)18)24-42-72(66)82/h19-48H,1-18H3.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline has a molecular weight of 1077.56 g/mol, XLogP of 22.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline is sourced from PubChem (CID 153306944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).