3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole

C84H54N2O — CID 118505153

IUPAC3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11cccc(-c%12cccc(-c%13ccccc%13)c%12)c%11)ccc%109)c8)cc7c6c5)cc4)c3)c2)cc1
InChIInChI=1S/C84H54N2O/c1-3-16-55(17-4-1)59-20-11-23-62(46-59)64-25-13-22-61(48-64)57-34-36-58(37-35-57)68-38-42-82-75(51-68)73-30-8-10-33-80(73)86(82)72-41-45-84-78(54-72)77-53-70(40-44-83(77)87-84)67-28-15-29-71(50-67)85-79-32-9-7-31-74(79)76-52-69(39-43-81(76)85)66-27-14-26-65(49-66)63-24-12-21-60(47-63)56-18-5-2-6-19-56/h1-54H
InChIKeyKURMSWUZGHHRMQ-UHFFFAOYSA-N
MW1107.37 g/mol
LogP23.12
Rot. Bonds10

About 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole

3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 118505153) has the molecular formula C84H54N2O and a molecular weight of 1107.37 g/mol. Its IUPAC name is 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
PubChem CID118505153
Molecular FormulaC84H54N2O
Molecular Weight1107.37 g/mol
Exact Mass1106.42
IUPAC Name3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11cccc(-c%12cccc(-c%13ccccc%13)c%12)c%11)ccc%109)c8)cc7c6c5)cc4)c3)c2)cc1
InChIInChI=1S/C84H54N2O/c1-3-16-55(17-4-1)59-20-11-23-62(46-59)64-25-13-22-61(48-64)57-34-36-58(37-35-57)68-38-42-82-75(51-68)73-30-8-10-33-80(73)86(82)72-41-45-84-78(54-72)77-53-70(40-44-83(77)87-84)67-28-15-29-71(50-67)85-79-32-9-7-31-74(79)76-52-69(39-43-81(76)85)66-27-14-26-65(49-66)63-24-12-21-60(47-63)56-18-5-2-6-19-56/h1-54H
InChIKeyKURMSWUZGHHRMQ-UHFFFAOYSA-N
XLogP23.12
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.37
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole?
The IUPAC name of 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole (CID 118505153) is 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole?
The canonical SMILES for 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11cccc(-c%12cccc(-c%13ccccc%13)c%12)c%11)ccc%109)c8)cc7c6c5)cc4)c3)c2)cc1.
What is the InChIKey of 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole?
The InChIKey is KURMSWUZGHHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N2O/c1-3-16-55(17-4-1)59-20-11-23-62(46-59)64-25-13-22-61(48-64)57-34-36-58(37-35-57)68-38-42-82-75(51-68)73-30-8-10-33-80(73)86(82)72-41-45-84-78(54-72)77-53-70(40-44-83(77)87-84)67-28-15-29-71(50-67)85-79-32-9-7-31-74(79)76-52-69(39-43-81(76)85)66-27-14-26-65(49-66)63-24-12-21-60(47-63)56-18-5-2-6-19-56/h1-54H.
What are the key properties of 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole?
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 1107.37 g/mol, XLogP of 23.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 118505153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).