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

C66H52N4O2 — CID 140908638

IUPAC4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
SMILESCc1ccc(-c2cc(-c3cc(-c4ccccc4)c(C)cn3)cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4ccc(C)o4)c3)c3c(C)cc(-n4c5ccccc5c5ccccc54)cc3C)c2)o1
InChIInChI=1S/C66H52N4O2/c1-41-29-53(70-62-23-15-13-21-56(62)57-22-14-16-24-63(57)70)30-42(2)66(41)69(54-33-49(31-51(35-54)64-27-25-45(5)71-64)60-37-58(43(3)39-67-60)47-17-9-7-10-18-47)55-34-50(32-52(36-55)65-28-26-46(6)72-65)61-38-59(44(4)40-68-61)48-19-11-8-12-20-48/h7-40H,1-6H3
InChIKeyMHBGDAFQRXTAEV-UHFFFAOYSA-N
MW933.17 g/mol
LogP18.08
Rot. Bonds10

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

4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline (PubChem CID 140908638) has the molecular formula C66H52N4O2 and a molecular weight of 933.17 g/mol. Its IUPAC name is 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
PubChem CID140908638
Molecular FormulaC66H52N4O2
Molecular Weight933.17 g/mol
Exact Mass932.41
IUPAC Name4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
SMILESCc1ccc(-c2cc(-c3cc(-c4ccccc4)c(C)cn3)cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4ccc(C)o4)c3)c3c(C)cc(-n4c5ccccc5c5ccccc54)cc3C)c2)o1
InChIInChI=1S/C66H52N4O2/c1-41-29-53(70-62-23-15-13-21-56(62)57-22-14-16-24-63(57)70)30-42(2)66(41)69(54-33-49(31-51(35-54)64-27-25-45(5)71-64)60-37-58(43(3)39-67-60)47-17-9-7-10-18-47)55-34-50(32-52(36-55)65-28-26-46(6)72-65)61-38-59(44(4)40-68-61)48-19-11-8-12-20-48/h7-40H,1-6H3
InChIKeyMHBGDAFQRXTAEV-UHFFFAOYSA-N
XLogP18.08
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.17
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
CID 140908719
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
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)
CID 140881771
N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-4-(2-methylpropyl)naphthalen-1-amine
CID 140908600
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine
CID 176811982
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578828
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline?
The IUPAC name of 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) is 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline is Cc1ccc(-c2cc(-c3cc(-c4ccccc4)c(C)cn3)cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4ccc(C)o4)c3)c3c(C)cc(-n4c5ccccc5c5ccccc54)cc3C)c2)o1.
What is the InChIKey of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline?
The InChIKey is MHBGDAFQRXTAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N4O2/c1-41-29-53(70-62-23-15-13-21-56(62)57-22-14-16-24-63(57)70)30-42(2)66(41)69(54-33-49(31-51(35-54)64-27-25-45(5)71-64)60-37-58(43(3)39-67-60)47-17-9-7-10-18-47)55-34-50(32-52(36-55)65-28-26-46(6)72-65)61-38-59(44(4)40-68-61)48-19-11-8-12-20-48/h7-40H,1-6H3.
What are the key properties of 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline?
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline has a molecular weight of 933.17 g/mol, XLogP of 18.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 140908638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).