3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole

C53H39N3 — CID 146266708

IUPAC3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc(C7=CC=NCC7)cc(-c7ccccc7)c6)c5c4)ccc32)CC=C1c1ccccc1
InChIInChI=1S/C53H39N3/c1-3-11-36(12-4-1)38-19-23-44(24-20-38)55-51-18-10-8-16-47(51)49-34-40(22-26-52(49)55)41-21-25-48-46-15-7-9-17-50(46)56(53(48)35-41)45-32-42(37-13-5-2-6-14-37)31-43(33-45)39-27-29-54-30-28-39/h1-23,25-27,29,31-35,44H,24,28,30H2
InChIKeyYMKGCQJESSEOBG-UHFFFAOYSA-N
MW717.92 g/mol
LogP13.67
Rot. Bonds6

About 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole

3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole (PubChem CID 146266708) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole.

Molecular Properties

Compound Name3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
PubChem CID146266708
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC Name3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc(C7=CC=NCC7)cc(-c7ccccc7)c6)c5c4)ccc32)CC=C1c1ccccc1
InChIInChI=1S/C53H39N3/c1-3-11-36(12-4-1)38-19-23-44(24-20-38)55-51-18-10-8-16-47(51)49-34-40(22-26-52(49)55)41-21-25-48-46-15-7-9-17-50(46)56(53(48)35-41)45-32-42(37-13-5-2-6-14-37)31-43(33-45)39-27-29-54-30-28-39/h1-23,25-27,29,31-35,44H,24,28,30H2
InChIKeyYMKGCQJESSEOBG-UHFFFAOYSA-N
XLogP13.67
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-phenylcyclohexa-2,4-dien-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170086624
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 139447207
9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
CID 143099598
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
9-[4-[2-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-5-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 143103822
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The IUPAC name of 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole (CID 146266708) is 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole.
What is the SMILES notation for 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The canonical SMILES for 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole is C1=CC(n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc(C7=CC=NCC7)cc(-c7ccccc7)c6)c5c4)ccc32)CC=C1c1ccccc1.
What is the InChIKey of 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole?
The InChIKey is YMKGCQJESSEOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3/c1-3-11-36(12-4-1)38-19-23-44(24-20-38)55-51-18-10-8-16-47(51)49-34-40(22-26-52(49)55)41-21-25-48-46-15-7-9-17-50(46)56(53(48)35-41)45-32-42(37-13-5-2-6-14-37)31-43(33-45)39-27-29-54-30-28-39/h1-23,25-27,29,31-35,44H,24,28,30H2.
What are the key properties of 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole?
3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole has a molecular weight of 717.92 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole is sourced from PubChem (CID 146266708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).