9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole

C70H42N4O2 — CID 58099763

IUPAC9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole
SMILESc1cncc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccccc7-c7cccnc7)ccc65)cc(-c5cccc6c5oc5ccccc56)cc4c3c2)c1
InChIInChI=1S/C70H42N4O2/c1-3-18-51(45-14-12-34-71-41-45)49(16-1)43-28-31-64-58(36-43)54-20-5-8-25-62(54)73(64)48-30-33-68-60(40-48)61-38-47(53-23-11-24-57-56-22-7-10-27-67(56)75-69(53)57)39-66(70(61)76-68)74-63-26-9-6-21-55(63)59-37-44(29-32-65(59)74)50-17-2-4-19-52(50)46-15-13-35-72-42-46/h1-42H
InChIKeyUERXQKOOZXQUPG-UHFFFAOYSA-N
MW971.13 g/mol
LogP18.80
Rot. Bonds7

About 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole

9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole (PubChem CID 58099763) has the molecular formula C70H42N4O2 and a molecular weight of 971.13 g/mol. Its IUPAC name is 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole
PubChem CID58099763
Molecular FormulaC70H42N4O2
Molecular Weight971.13 g/mol
Exact Mass970.33
IUPAC Name9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole
SMILESc1cncc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccccc7-c7cccnc7)ccc65)cc(-c5cccc6c5oc5ccccc56)cc4c3c2)c1
InChIInChI=1S/C70H42N4O2/c1-3-18-51(45-14-12-34-71-41-45)49(16-1)43-28-31-64-58(36-43)54-20-5-8-25-62(54)73(64)48-30-33-68-60(40-48)61-38-47(53-23-11-24-57-56-22-7-10-27-67(56)75-69(53)57)39-66(70(61)76-68)74-63-26-9-6-21-55(63)59-37-44(29-32-65(59)74)50-17-2-4-19-52(50)46-15-13-35-72-42-46/h1-42H
InChIKeyUERXQKOOZXQUPG-UHFFFAOYSA-N
XLogP18.80
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.13
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-[5-Cyano-1-(pyridin-2-ylmethyl)indol-3-yl]butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 11272570
1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484
2-[4-[4-[6-Pyridin-2-yl-2-[4-[4-[4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]pyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958541
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-2-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958577
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 68230340
3-[1-[1-(2-Benzofuran-1-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
CID 69834547
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4-methyl-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590518
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590522
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 90321207

Frequently Asked Questions

What is the IUPAC name of 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole?
The IUPAC name of 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole (CID 58099763) is 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole.
What is the SMILES notation for 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole?
The canonical SMILES for 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole is c1cncc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccccc7-c7cccnc7)ccc65)cc(-c5cccc6c5oc5ccccc56)cc4c3c2)c1.
What is the InChIKey of 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole?
The InChIKey is UERXQKOOZXQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4O2/c1-3-18-51(45-14-12-34-71-41-45)49(16-1)43-28-31-64-58(36-43)54-20-5-8-25-62(54)73(64)48-30-33-68-60(40-48)61-38-47(53-23-11-24-57-56-22-7-10-27-67(56)75-69(53)57)39-66(70(61)76-68)74-63-26-9-6-21-55(63)59-37-44(29-32-65(59)74)50-17-2-4-19-52(50)46-15-13-35-72-42-46/h1-42H.
What are the key properties of 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole?
9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole has a molecular weight of 971.13 g/mol, XLogP of 18.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-dibenzofuran-4-yl-8-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]-3-(2-pyridin-3-ylphenyl)carbazole is sourced from PubChem (CID 58099763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).