9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole

C62H46N4 — CID 59758289

IUPAC9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole
SMILESCCc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(CC)cc6)n5)n4)ccc32)cc1
InChIInChI=1S/C62H46N4/c1-3-41-21-29-49(30-22-41)65-59-33-25-45(43-13-7-5-8-14-43)37-51(59)53-39-47(27-35-61(53)65)55-17-11-19-57(63-55)58-20-12-18-56(64-58)48-28-36-62-54(40-48)52-38-46(44-15-9-6-10-16-44)26-34-60(52)66(62)50-31-23-42(4-2)24-32-50/h5-40H,3-4H2,1-2H3
InChIKeyIWXJOPAJEBIKSI-UHFFFAOYSA-N
MW847.08 g/mol
LogP16.13
Rot. Bonds9

About 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole

9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole (PubChem CID 59758289) has the molecular formula C62H46N4 and a molecular weight of 847.08 g/mol. Its IUPAC name is 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole.

Molecular Properties

Compound Name9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole
PubChem CID59758289
Molecular FormulaC62H46N4
Molecular Weight847.08 g/mol
Exact Mass846.37
IUPAC Name9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole
SMILESCCc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(CC)cc6)n5)n4)ccc32)cc1
InChIInChI=1S/C62H46N4/c1-3-41-21-29-49(30-22-41)65-59-33-25-45(43-13-7-5-8-14-43)37-51(59)53-39-47(27-35-61(53)65)55-17-11-19-57(63-55)58-20-12-18-56(64-58)48-28-36-62-54(40-48)52-38-46(44-15-9-6-10-16-44)26-34-60(52)66(62)50-31-23-42(4-2)24-32-50/h5-40H,3-4H2,1-2H3
InChIKeyIWXJOPAJEBIKSI-UHFFFAOYSA-N
XLogP16.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.08
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diethylcarbazole
CID 67574355
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
CID 163724043
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
12-[4-[3-(4-ethylphenyl)-10-phenylanthracen-9-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377434

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole?
The IUPAC name of 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole (CID 59758289) is 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole.
What is the SMILES notation for 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole?
The canonical SMILES for 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole is CCc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(CC)cc6)n5)n4)ccc32)cc1.
What is the InChIKey of 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole?
The InChIKey is IWXJOPAJEBIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4/c1-3-41-21-29-49(30-22-41)65-59-33-25-45(43-13-7-5-8-14-43)37-51(59)53-39-47(27-35-61(53)65)55-17-11-19-57(63-55)58-20-12-18-56(64-58)48-28-36-62-54(40-48)52-38-46(44-15-9-6-10-16-44)26-34-60(52)66(62)50-31-23-42(4-2)24-32-50/h5-40H,3-4H2,1-2H3.
What are the key properties of 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole?
9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole has a molecular weight of 847.08 g/mol, XLogP of 16.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethylphenyl)-3-[6-[6-[9-(4-ethylphenyl)-6-phenylcarbazol-3-yl]-2-pyridinyl]-2-pyridinyl]-6-phenylcarbazole is sourced from PubChem (CID 59758289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).