3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole

C99H66N4O — CID 158323830

IUPAC3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O.C45H32N2/c1-2-10-35(11-3-1)36-18-25-41(26-19-36)55-49-15-7-4-12-43(49)46-32-39(22-29-51(46)55)40-23-30-52-47(33-40)44-13-5-8-16-50(44)56(52)42-27-20-37(21-28-42)38-24-31-54-48(34-38)45-14-6-9-17-53(45)57-54;1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h1-34H;3-28H,1-2H3
InChIKeyGPDZAXBILUKWMS-UHFFFAOYSA-N
MW1327.64 g/mol
LogP26.64
Rot. Bonds8

About 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 158323830) has the molecular formula C99H66N4O and a molecular weight of 1327.64 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID158323830
Molecular FormulaC99H66N4O
Molecular Weight1327.64 g/mol
Exact Mass1326.52
IUPAC Name3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O.C45H32N2/c1-2-10-35(11-3-1)36-18-25-41(26-19-36)55-49-15-7-4-12-43(49)46-32-39(22-29-51(46)55)40-23-30-52-47(33-40)44-13-5-8-16-50(44)56(52)42-27-20-37(21-28-42)38-24-31-54-48(34-38)45-14-6-9-17-53(45)57-54;1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h1-34H;3-28H,1-2H3
InChIKeyGPDZAXBILUKWMS-UHFFFAOYSA-N
XLogP26.64
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.64
LogP ≤ 526.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 158323830) is 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GPDZAXBILUKWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O.C45H32N2/c1-2-10-35(11-3-1)36-18-25-41(26-19-36)55-49-15-7-4-12-43(49)46-32-39(22-29-51(46)55)40-23-30-52-47(33-40)44-13-5-8-16-50(44)56(52)42-27-20-37(21-28-42)38-24-31-54-48(34-38)45-14-6-9-17-53(45)57-54;1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h1-34H;3-28H,1-2H3.
What are the key properties of 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1327.64 g/mol, XLogP of 26.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 158323830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).