3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole

C94H54N8OS — CID 139315619

IUPAC3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
SMILESc1ccc2c(-c3ccc4oc5cc(-c6ccc(-c7ccc8c(-c9ccc%10sc%11ccccc%11c%10c9)nc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)nc8c7)cc6)ccc5c4c3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2c1
InChIInChI=1S/C94H54N8OS/c1-9-25-77-71(24-1)91(97-93(95-77)101-83-30-14-6-21-67(83)73-53-61(41-45-85(73)101)99-79-26-10-2-17-63(79)64-18-3-11-27-80(64)99)59-39-47-87-75(49-59)69-43-37-58(52-88(69)103-87)56-35-33-55(34-36-56)57-38-44-72-78(51-57)96-94(98-92(72)60-40-48-90-76(50-60)70-23-8-16-32-89(70)104-90)102-84-31-15-7-22-68(84)74-54-62(42-46-86(74)102)100-81-28-12-4-19-65(81)66-20-5-13-29-82(66)100/h1-54H
InChIKeyQIQWPUKQKRUUFH-UHFFFAOYSA-N
MW1343.59 g/mol
LogP24.90
Rot. Bonds8

About 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole

3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole (PubChem CID 139315619) has the molecular formula C94H54N8OS and a molecular weight of 1343.59 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
PubChem CID139315619
Molecular FormulaC94H54N8OS
Molecular Weight1343.59 g/mol
Exact Mass1342.41
IUPAC Name3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
SMILESc1ccc2c(-c3ccc4oc5cc(-c6ccc(-c7ccc8c(-c9ccc%10sc%11ccccc%11c%10c9)nc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)nc8c7)cc6)ccc5c4c3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2c1
InChIInChI=1S/C94H54N8OS/c1-9-25-77-71(24-1)91(97-93(95-77)101-83-30-14-6-21-67(83)73-53-61(41-45-85(73)101)99-79-26-10-2-17-63(79)64-18-3-11-27-80(64)99)59-39-47-87-75(49-59)69-43-37-58(52-88(69)103-87)56-35-33-55(34-36-56)57-38-44-72-78(51-57)96-94(98-92(72)60-40-48-90-76(50-60)70-23-8-16-32-89(70)104-90)102-84-31-15-7-22-68(84)74-54-62(42-46-86(74)102)100-81-28-12-4-19-65(81)66-20-5-13-29-82(66)100/h1-54H
InChIKeyQIQWPUKQKRUUFH-UHFFFAOYSA-N
XLogP24.90
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001343.59
LogP ≤ 524.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158229198
3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 161282995
5-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-dibenzothiophen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenyl-5-[9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazol-2-yl]benzo[a]carbazole
CID 162105305
CID 160619323
CID 160619323
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole (CID 139315619) is 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole is c1ccc2c(-c3ccc4oc5cc(-c6ccc(-c7ccc8c(-c9ccc%10sc%11ccccc%11c%10c9)nc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)nc8c7)cc6)ccc5c4c3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2c1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole?
The InChIKey is QIQWPUKQKRUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H54N8OS/c1-9-25-77-71(24-1)91(97-93(95-77)101-83-30-14-6-21-67(83)73-53-61(41-45-85(73)101)99-79-26-10-2-17-63(79)64-18-3-11-27-80(64)99)59-39-47-87-75(49-59)69-43-37-58(52-88(69)103-87)56-35-33-55(34-36-56)57-38-44-72-78(51-57)96-94(98-92(72)60-40-48-90-76(50-60)70-23-8-16-32-89(70)104-90)102-84-31-15-7-22-68(84)74-54-62(42-46-86(74)102)100-81-28-12-4-19-65(81)66-20-5-13-29-82(66)100/h1-54H.
What are the key properties of 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole?
3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole has a molecular weight of 1343.59 g/mol, XLogP of 24.90, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole is sourced from PubChem (CID 139315619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).