9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C106H64N8O — CID 126632665

IUPAC9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C106H64N8O/c1-4-22-73(23-5-1)109-90-34-16-10-28-76(90)82-56-65(40-48-95(82)109)68-43-51-98-85(59-68)79-31-13-19-37-93(79)112(98)104-64-105(108-106(107-104)114-94-38-20-14-32-80(94)86-60-69(46-54-101(86)114)72-47-55-103-89(63-72)81-33-15-21-39-102(81)115-103)113-99-52-44-70(66-41-49-96-83(57-66)77-29-11-17-35-91(77)110(96)74-24-6-2-7-25-74)61-87(99)88-62-71(45-53-100(88)113)67-42-50-97-84(58-67)78-30-12-18-36-92(78)111(97)75-26-8-3-9-27-75/h1-64H
InChIKeyCUVRMYGBMGOSME-UHFFFAOYSA-N
MW1465.73 g/mol
LogP27.63
Rot. Bonds10

About 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126632665) has the molecular formula C106H64N8O and a molecular weight of 1465.73 g/mol. Its IUPAC name is 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID126632665
Molecular FormulaC106H64N8O
Molecular Weight1465.73 g/mol
Exact Mass1464.52
IUPAC Name9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C106H64N8O/c1-4-22-73(23-5-1)109-90-34-16-10-28-76(90)82-56-65(40-48-95(82)109)68-43-51-98-85(59-68)79-31-13-19-37-93(79)112(98)104-64-105(108-106(107-104)114-94-38-20-14-32-80(94)86-60-69(46-54-101(86)114)72-47-55-103-89(63-72)81-33-15-21-39-102(81)115-103)113-99-52-44-70(66-41-49-96-83(57-66)77-29-11-17-35-91(77)110(96)74-24-6-2-7-25-74)61-87(99)88-62-71(45-53-100(88)113)67-42-50-97-84(58-67)78-30-12-18-36-92(78)111(97)75-26-8-3-9-27-75/h1-64H
InChIKeyCUVRMYGBMGOSME-UHFFFAOYSA-N
XLogP27.63
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001465.73
LogP ≤ 527.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine
CID 161327253
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
CID 126632399
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 90086397
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 126632665) is 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)n4)ccc32)cc1.
What is the InChIKey of 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is CUVRMYGBMGOSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H64N8O/c1-4-22-73(23-5-1)109-90-34-16-10-28-76(90)82-56-65(40-48-95(82)109)68-43-51-98-85(59-68)79-31-13-19-37-93(79)112(98)104-64-105(108-106(107-104)114-94-38-20-14-32-80(94)86-60-69(46-54-101(86)114)72-47-55-103-89(63-72)81-33-15-21-39-102(81)115-103)113-99-52-44-70(66-41-49-96-83(57-66)77-29-11-17-35-91(77)110(96)74-24-6-2-7-25-74)61-87(99)88-62-71(45-53-100(88)113)67-42-50-97-84(58-67)78-30-12-18-36-92(78)111(97)75-26-8-3-9-27-75/h1-64H.
What are the key properties of 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1465.73 g/mol, XLogP of 27.63, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126632665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).