4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline

C64H60N4 — CID 140908719

IUPAC4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
SMILESCc1cnc(-c2cc(CC(C)C)cc(N(c3cc(CC(C)C)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3c(C)cc(-n4c5ccccc5c5ccccc54)cc3C)c2)cc1-c1ccccc1
InChIInChI=1S/C64H60N4/c1-41(2)27-47-31-51(60-37-58(45(7)39-65-60)49-19-11-9-12-20-49)35-54(33-47)67(64-43(5)29-53(30-44(64)6)68-62-25-17-15-23-56(62)57-24-16-18-26-63(57)68)55-34-48(28-42(3)4)32-52(36-55)61-38-59(46(8)40-66-61)50-21-13-10-14-22-50/h9-26,29-42H,27-28H2,1-8H3
InChIKeyCTWKTQSKPPEOBL-UHFFFAOYSA-N
MW885.21 g/mol
LogP17.34
Rot. Bonds12

About 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline

4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline (PubChem CID 140908719) has the molecular formula C64H60N4 and a molecular weight of 885.21 g/mol. Its IUPAC name is 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline.

Molecular Properties

Compound Name4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
PubChem CID140908719
Molecular FormulaC64H60N4
Molecular Weight885.21 g/mol
Exact Mass884.48
IUPAC Name4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
SMILESCc1cnc(-c2cc(CC(C)C)cc(N(c3cc(CC(C)C)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3c(C)cc(-n4c5ccccc5c5ccccc54)cc3C)c2)cc1-c1ccccc1
InChIInChI=1S/C64H60N4/c1-41(2)27-47-31-51(60-37-58(45(7)39-65-60)49-19-11-9-12-20-49)35-54(33-47)67(64-43(5)29-53(30-44(64)6)68-62-25-17-15-23-56(62)57-24-16-18-26-63(57)68)55-34-48(28-42(3)4)32-52(36-55)61-38-59(46(8)40-66-61)50-21-13-10-14-22-50/h9-26,29-42H,27-28H2,1-8H3
InChIKeyCTWKTQSKPPEOBL-UHFFFAOYSA-N
XLogP17.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.21
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
CID 140908638
N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine
CID 140908600
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
CID 135178307
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
[6-(3-carbazol-9-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 139035258
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578828
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 167038231
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol
CID 140831990
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline?
The IUPAC name of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline (CID 140908719) is 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline.
What is the SMILES notation for 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline?
The canonical SMILES for 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline is Cc1cnc(-c2cc(CC(C)C)cc(N(c3cc(CC(C)C)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3c(C)cc(-n4c5ccccc5c5ccccc54)cc3C)c2)cc1-c1ccccc1.
What is the InChIKey of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline?
The InChIKey is CTWKTQSKPPEOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N4/c1-41(2)27-47-31-51(60-37-58(45(7)39-65-60)49-19-11-9-12-20-49)35-54(33-47)67(64-43(5)29-53(30-44(64)6)68-62-25-17-15-23-56(62)57-24-16-18-26-63(57)68)55-34-48(28-42(3)4)32-52(36-55)61-38-59(46(8)40-66-61)50-21-13-10-14-22-50/h9-26,29-42H,27-28H2,1-8H3.
What are the key properties of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline?
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline has a molecular weight of 885.21 g/mol, XLogP of 17.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline is sourced from PubChem (CID 140908719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).