9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole

C112H66N12O2 — CID 58099635

IUPAC9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole
SMILESc1cncc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n3-c2ccc3oc4c(-c5cc(-n6c7ccc(-c8cccnc8)cc7c7cc(-c8cccnc8)ccc76)cc6c5oc5ccc(-n7c8ccc(-c9cccnc9)cc8c8cc(-c9cccnc9)ccc87)cc56)cc(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1
InChIInChI=1S/C112H66N12O2/c1-9-75(59-113-37-1)67-17-27-101-87(45-67)88-46-68(76-10-2-38-114-60-76)18-28-102(88)121(101)83-25-35-109-95(53-83)97-55-85(123-105-31-21-71(79-13-5-41-117-63-79)49-91(105)92-50-72(22-32-106(92)123)80-14-6-42-118-64-80)57-99(111(97)125-109)100-58-86(124-107-33-23-73(81-15-7-43-119-65-81)51-93(107)94-52-74(24-34-108(94)124)82-16-8-44-120-66-82)56-98-96-54-84(26-36-110(96)126-112(98)100)122-103-29-19-69(77-11-3-39-115-61-77)47-89(103)90-48-70(20-30-104(90)122)78-12-4-40-116-62-78/h1-66H
InChIKeyRCYPRFXADWIJOT-UHFFFAOYSA-N
MW1611.84 g/mol
LogP28.04
Rot. Bonds13

About 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole

9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole (PubChem CID 58099635) has the molecular formula C112H66N12O2 and a molecular weight of 1611.84 g/mol. Its IUPAC name is 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole.

Molecular Properties

Compound Name9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole
PubChem CID58099635
Molecular FormulaC112H66N12O2
Molecular Weight1611.84 g/mol
Exact Mass1610.54
IUPAC Name9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole
SMILESc1cncc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n3-c2ccc3oc4c(-c5cc(-n6c7ccc(-c8cccnc8)cc7c7cc(-c8cccnc8)ccc76)cc6c5oc5ccc(-n7c8ccc(-c9cccnc9)cc8c8cc(-c9cccnc9)ccc87)cc56)cc(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1
InChIInChI=1S/C112H66N12O2/c1-9-75(59-113-37-1)67-17-27-101-87(45-67)88-46-68(76-10-2-38-114-60-76)18-28-102(88)121(101)83-25-35-109-95(53-83)97-55-85(123-105-31-21-71(79-13-5-41-117-63-79)49-91(105)92-50-72(22-32-106(92)123)80-14-6-42-118-64-80)57-99(111(97)125-109)100-58-86(124-107-33-23-73(81-15-7-43-119-65-81)51-93(107)94-52-74(24-34-108(94)124)82-16-8-44-120-66-82)56-98-96-54-84(26-36-110(96)126-112(98)100)122-103-29-19-69(77-11-3-39-115-61-77)47-89(103)90-48-70(20-30-104(90)122)78-12-4-40-116-62-78/h1-66H
InChIKeyRCYPRFXADWIJOT-UHFFFAOYSA-N
XLogP28.04
TPSA149.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.84
LogP ≤ 528.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole?
The IUPAC name of 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole (CID 58099635) is 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole.
What is the SMILES notation for 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole?
The canonical SMILES for 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole is c1cncc(-c2ccc3c(c2)c2cc(-c4cccnc4)ccc2n3-c2ccc3oc4c(-c5cc(-n6c7ccc(-c8cccnc8)cc7c7cc(-c8cccnc8)ccc76)cc6c5oc5ccc(-n7c8ccc(-c9cccnc9)cc8c8cc(-c9cccnc9)ccc87)cc56)cc(-n5c6ccc(-c7cccnc7)cc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1.
What is the InChIKey of 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole?
The InChIKey is RCYPRFXADWIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H66N12O2/c1-9-75(59-113-37-1)67-17-27-101-87(45-67)88-46-68(76-10-2-38-114-60-76)18-28-102(88)121(101)83-25-35-109-95(53-83)97-55-85(123-105-31-21-71(79-13-5-41-117-63-79)49-91(105)92-50-72(22-32-106(92)123)80-14-6-42-118-64-80)57-99(111(97)125-109)100-58-86(124-107-33-23-73(81-15-7-43-119-65-81)51-93(107)94-52-74(24-34-108(94)124)82-16-8-44-120-66-82)56-98-96-54-84(26-36-110(96)126-112(98)100)122-103-29-19-69(77-11-3-39-115-61-77)47-89(103)90-48-70(20-30-104(90)122)78-12-4-40-116-62-78/h1-66H.
What are the key properties of 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole?
9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole has a molecular weight of 1611.84 g/mol, XLogP of 28.04, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole is sourced from PubChem (CID 58099635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).