9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole

C99H58N4O3 — CID 126632420

IUPAC9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
SMILESc1cc(-c2cc3nccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)c3cc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C99H58N4O3/c1-7-28-88-72(22-1)81-51-59(62-37-43-97-84(54-62)75-25-4-10-31-94(75)104-97)34-40-91(81)101(88)68-19-13-16-65(48-68)71-46-47-100-87-58-79(67-18-15-21-70(50-67)103-90-30-9-3-24-74(90)83-53-61(36-42-93(83)103)64-39-45-99-86(56-64)77-27-6-12-33-96(77)106-99)78(57-80(71)87)66-17-14-20-69(49-66)102-89-29-8-2-23-73(89)82-52-60(35-41-92(82)102)63-38-44-98-85(55-63)76-26-5-11-32-95(76)105-98/h1-58H
InChIKeyJAJLLJCCTPELRK-UHFFFAOYSA-N
MW1351.58 g/mol
LogP27.23
Rot. Bonds9

About 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole

9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole (PubChem CID 126632420) has the molecular formula C99H58N4O3 and a molecular weight of 1351.58 g/mol. Its IUPAC name is 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
PubChem CID126632420
Molecular FormulaC99H58N4O3
Molecular Weight1351.58 g/mol
Exact Mass1350.45
IUPAC Name9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
SMILESc1cc(-c2cc3nccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)c3cc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C99H58N4O3/c1-7-28-88-72(22-1)81-51-59(62-37-43-97-84(54-62)75-25-4-10-31-94(75)104-97)34-40-91(81)101(88)68-19-13-16-65(48-68)71-46-47-100-87-58-79(67-18-15-21-70(50-67)103-90-30-9-3-24-74(90)83-53-61(36-42-93(83)103)64-39-45-99-86(56-64)77-27-6-12-33-96(77)106-99)78(57-80(71)87)66-17-14-20-69(49-66)102-89-29-8-2-23-73(89)82-52-60(35-41-92(82)102)63-38-44-98-85(55-63)76-26-5-11-32-95(76)105-98/h1-58H
InChIKeyJAJLLJCCTPELRK-UHFFFAOYSA-N
XLogP27.23
TPSA67.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.58
LogP ≤ 527.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
CID 126632417
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
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
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?
The IUPAC name of 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole (CID 126632420) is 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole is c1cc(-c2cc3nccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)c3cc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?
The InChIKey is JAJLLJCCTPELRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H58N4O3/c1-7-28-88-72(22-1)81-51-59(62-37-43-97-84(54-62)75-25-4-10-31-94(75)104-97)34-40-91(81)101(88)68-19-13-16-65(48-68)71-46-47-100-87-58-79(67-18-15-21-70(50-67)103-90-30-9-3-24-74(90)83-53-61(36-42-93(83)103)64-39-45-99-86(56-64)77-27-6-12-33-96(77)106-99)78(57-80(71)87)66-17-14-20-69(49-66)102-89-29-8-2-23-73(89)82-52-60(35-41-92(82)102)63-38-44-98-85(55-63)76-26-5-11-32-95(76)105-98/h1-58H.
What are the key properties of 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole?
9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole has a molecular weight of 1351.58 g/mol, XLogP of 27.23, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 126632420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).