3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole

C70H44N6 — CID 146511865

IUPAC3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccncc3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C70H44N6/c1-3-19-45(20-4-1)48-35-37-64-56(43-48)57-44-49(46-21-5-2-6-22-46)36-38-65(57)76(64)70-68(74-60-31-15-9-25-52(60)53-26-10-16-32-61(53)74)66(47-39-41-71-42-40-47)67(73-58-29-13-7-23-50(58)51-24-8-14-30-59(51)73)69(72-70)75-62-33-17-11-27-54(62)55-28-12-18-34-63(55)75/h1-44H
InChIKeyONZGXOAFJXRYMQ-UHFFFAOYSA-N
MW969.16 g/mol
LogP17.87
Rot. Bonds7

About 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole

3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole (PubChem CID 146511865) has the molecular formula C70H44N6 and a molecular weight of 969.16 g/mol. Its IUPAC name is 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
PubChem CID146511865
Molecular FormulaC70H44N6
Molecular Weight969.16 g/mol
Exact Mass968.36
IUPAC Name3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccncc3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C70H44N6/c1-3-19-45(20-4-1)48-35-37-64-56(43-48)57-44-49(46-21-5-2-6-22-46)36-38-65(57)76(64)70-68(74-60-31-15-9-25-52(60)53-26-10-16-32-61(53)74)66(47-39-41-71-42-40-47)67(73-58-29-13-7-23-50(58)51-24-8-14-30-59(51)73)69(72-70)75-62-33-17-11-27-54(62)55-28-12-18-34-63(55)75/h1-44H
InChIKeyONZGXOAFJXRYMQ-UHFFFAOYSA-N
XLogP17.87
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.16
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3,6-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]-3,6-diphenylcarbazole
CID 142508353
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377426
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
CID 164797248
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole (CID 146511865) is 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccncc3)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole?
The InChIKey is ONZGXOAFJXRYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N6/c1-3-19-45(20-4-1)48-35-37-64-56(43-48)57-44-49(46-21-5-2-6-22-46)36-38-65(57)76(64)70-68(74-60-31-15-9-25-52(60)53-26-10-16-32-61(53)74)66(47-39-41-71-42-40-47)67(73-58-29-13-7-23-50(58)51-24-8-14-30-59(51)73)69(72-70)75-62-33-17-11-27-54(62)55-28-12-18-34-63(55)75/h1-44H.
What are the key properties of 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole?
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole has a molecular weight of 969.16 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole is sourced from PubChem (CID 146511865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).