3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole

C66H40N2OS — CID 58099529

IUPAC3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5oc6c(-c7ccccc7-n7c8ccccc8c8ccccc87)cc(-c7ccc8sc9ccccc9c8c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C66H40N2OS/c1-2-16-45(17-3-1)67-58-25-11-8-22-50(58)53-37-42(30-33-62(53)67)46-18-4-5-19-47(46)43-31-34-63-54(38-43)57-40-44(41-32-35-65-55(36-41)52-24-10-15-29-64(52)70-65)39-56(66(57)69-63)51-23-9-14-28-61(51)68-59-26-12-6-20-48(59)49-21-7-13-27-60(49)68/h1-40H
InChIKeyRRCVHJFRCZNEER-UHFFFAOYSA-N
MW909.13 g/mol
LogP18.82
Rot. Bonds6

About 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole

3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 58099529) has the molecular formula C66H40N2OS and a molecular weight of 909.13 g/mol. Its IUPAC name is 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole
PubChem CID58099529
Molecular FormulaC66H40N2OS
Molecular Weight909.13 g/mol
Exact Mass908.29
IUPAC Name3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5oc6c(-c7ccccc7-n7c8ccccc8c8ccccc87)cc(-c7ccc8sc9ccccc9c8c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C66H40N2OS/c1-2-16-45(17-3-1)67-58-25-11-8-22-50(58)53-37-42(30-33-62(53)67)46-18-4-5-19-47(46)43-31-34-63-54(38-43)57-40-44(41-32-35-65-55(36-41)52-24-10-15-29-64(52)70-65)39-56(66(57)69-63)51-23-9-14-28-61(51)68-59-26-12-6-20-48(59)49-21-7-13-27-60(49)68/h1-40H
InChIKeyRRCVHJFRCZNEER-UHFFFAOYSA-N
XLogP18.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.13
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-([1,1'-biphenyl]-4-yl)-3'-(9H-carbazol-9-yl)-N-(4-(dibenzo[b,d]furan-4-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 118952247
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
3-Dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
CID 118488388
3-[2-[5-Carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 118945770
N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443769
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
CID 121443770
8-[4-([1]Benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-3-cycloheptyl-2-phenyl-2,3-dihydrochromen-4-one
CID 124198769
29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
CID 134240267

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole (CID 58099529) is 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5oc6c(-c7ccccc7-n7c8ccccc8c8ccccc87)cc(-c7ccc8sc9ccccc9c8c7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is RRCVHJFRCZNEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2OS/c1-2-16-45(17-3-1)67-58-25-11-8-22-50(58)53-37-42(30-33-62(53)67)46-18-4-5-19-47(46)43-31-34-63-54(38-43)57-40-44(41-32-35-65-55(36-41)52-24-10-15-29-64(52)70-65)39-56(66(57)69-63)51-23-9-14-28-61(51)68-59-26-12-6-20-48(59)49-21-7-13-27-60(49)68/h1-40H.
What are the key properties of 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 909.13 g/mol, XLogP of 18.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(2-carbazol-9-ylphenyl)-8-dibenzothiophen-2-yldibenzofuran-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 58099529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).