9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole

C66H40N2OS — CID 58038567

IUPAC9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-c8ccc9sc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c9c8)c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C66H40N2OS/c1-3-14-49(15-4-1)67-59-20-9-7-18-51(59)53-35-43(22-28-61(53)67)46-25-31-64-56(38-46)55-37-45(24-30-63(55)69-64)41-12-11-13-42(34-41)47-26-32-65-57(39-47)58-40-48(27-33-66(58)70-65)44-23-29-62-54(36-44)52-19-8-10-21-60(52)68(62)50-16-5-2-6-17-50/h1-40H
InChIKeyHOQIYOOXTRKDRX-UHFFFAOYSA-N
MW909.13 g/mol
LogP18.82
Rot. Bonds6

About 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole

9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole (PubChem CID 58038567) has the molecular formula C66H40N2OS and a molecular weight of 909.13 g/mol. Its IUPAC name is 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
PubChem CID58038567
Molecular FormulaC66H40N2OS
Molecular Weight909.13 g/mol
Exact Mass908.29
IUPAC Name9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-c8ccc9sc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c9c8)c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C66H40N2OS/c1-3-14-49(15-4-1)67-59-20-9-7-18-51(59)53-35-43(22-28-61(53)67)46-25-31-64-56(38-46)55-37-45(24-30-63(55)69-64)41-12-11-13-42(34-41)47-26-32-65-57(39-47)58-40-48(27-33-66(58)70-65)44-23-29-62-54(36-44)52-19-8-10-21-60(52)68(62)50-16-5-2-6-17-50/h1-40H
InChIKeyHOQIYOOXTRKDRX-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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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole (CID 58038567) is 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-c8ccc9sc%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c9c8)c7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The InChIKey is HOQIYOOXTRKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2OS/c1-3-14-49(15-4-1)67-59-20-9-7-18-51(59)53-35-43(22-28-61(53)67)46-25-31-64-56(38-46)55-37-45(24-30-63(55)69-64)41-12-11-13-42(34-41)47-26-32-65-57(39-47)58-40-48(27-33-66(58)70-65)44-23-29-62-54(36-44)52-19-8-10-21-60(52)68(62)50-16-5-2-6-17-50/h1-40H.
What are the key properties of 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole 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 9-phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 58038567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).