9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole

C101H63N5O — CID 150433689

IUPAC9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cccc4c3oc3ccccc34)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C101H63N5O/c1-7-26-64(27-8-1)70-46-52-89-81(58-70)82-59-71(65-28-9-2-10-29-65)47-53-90(82)103(89)97-96(80-42-25-41-79-78-40-21-24-45-95(78)107-99(79)80)98(104-91-54-48-72(66-30-11-3-12-31-66)60-83(91)84-61-73(49-55-92(84)104)67-32-13-4-14-33-67)101(102-100(97)105-87-43-22-19-38-76(87)77-39-20-23-44-88(77)105)106-93-56-50-74(68-34-15-5-16-35-68)62-85(93)86-63-75(51-57-94(86)106)69-36-17-6-18-37-69/h1-63H
InChIKeyHKHOQFKTSRJOBT-UHFFFAOYSA-N
MW1362.65 g/mol
LogP27.04
Rot. Bonds11

About 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole

9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 150433689) has the molecular formula C101H63N5O and a molecular weight of 1362.65 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
PubChem CID150433689
Molecular FormulaC101H63N5O
Molecular Weight1362.65 g/mol
Exact Mass1361.50
IUPAC Name9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cccc4c3oc3ccccc34)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C101H63N5O/c1-7-26-64(27-8-1)70-46-52-89-81(58-70)82-59-71(65-28-9-2-10-29-65)47-53-90(82)103(89)97-96(80-42-25-41-79-78-40-21-24-45-95(78)107-99(79)80)98(104-91-54-48-72(66-30-11-3-12-31-66)60-83(91)84-61-73(49-55-92(84)104)67-32-13-4-14-33-67)101(102-100(97)105-87-43-22-19-38-76(87)77-39-20-23-44-88(77)105)106-93-56-50-74(68-34-15-5-16-35-68)62-85(93)86-63-75(51-57-94(86)106)69-36-17-6-18-37-69/h1-63H
InChIKeyHKHOQFKTSRJOBT-UHFFFAOYSA-N
XLogP27.04
TPSA45.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001362.65
LogP ≤ 527.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280771
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole (CID 150433689) is 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cccc4c3oc3ccccc34)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole?
The InChIKey is HKHOQFKTSRJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H63N5O/c1-7-26-64(27-8-1)70-46-52-89-81(58-70)82-59-71(65-28-9-2-10-29-65)47-53-90(82)103(89)97-96(80-42-25-41-79-78-40-21-24-45-95(78)107-99(79)80)98(104-91-54-48-72(66-30-11-3-12-31-66)60-83(91)84-61-73(49-55-92(84)104)67-32-13-4-14-33-67)101(102-100(97)105-87-43-22-19-38-76(87)77-39-20-23-44-88(77)105)106-93-56-50-74(68-34-15-5-16-35-68)62-85(93)86-63-75(51-57-94(86)106)69-36-17-6-18-37-69/h1-63H.
What are the key properties of 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole?
9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 1362.65 g/mol, XLogP of 27.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 150433689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).