5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole

C78H45N7OS — CID 138654329

IUPAC5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)nc3ccc(-c4cccc(-c5cccc6c5sc5c6ccc6c5c5ccccc5n6-c5nccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)cc23)cc1
InChIInChI=1S/C78H45N7OS/c1-2-17-46(18-3-1)73-61-45-48(35-38-63(61)81-78(82-73)85-66-32-11-6-26-59(66)71-68(85)39-36-56-55-25-8-13-34-70(55)86-74(56)71)47-19-14-20-49(43-47)52-28-16-29-57-58-37-40-69-72(76(58)87-75(52)57)60-27-7-12-33-67(60)84(69)77-79-42-41-62(80-77)50-21-15-22-51(44-50)83-64-30-9-4-23-53(64)54-24-5-10-31-65(54)83/h1-45H
InChIKeyOAXWVYUFVRHPQP-UHFFFAOYSA-N
MW1128.33 g/mol
LogP20.65
Rot. Bonds7

About 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 138654329) has the molecular formula C78H45N7OS and a molecular weight of 1128.33 g/mol. Its IUPAC name is 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID138654329
Molecular FormulaC78H45N7OS
Molecular Weight1128.33 g/mol
Exact Mass1127.34
IUPAC Name5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)nc3ccc(-c4cccc(-c5cccc6c5sc5c6ccc6c5c5ccccc5n6-c5nccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)cc23)cc1
InChIInChI=1S/C78H45N7OS/c1-2-17-46(18-3-1)73-61-45-48(35-38-63(61)81-78(82-73)85-66-32-11-6-26-59(66)71-68(85)39-36-56-55-25-8-13-34-70(55)86-74(56)71)47-19-14-20-49(43-47)52-28-16-29-57-58-37-40-69-72(76(58)87-75(52)57)60-27-7-12-33-67(60)84(69)77-79-42-41-62(80-77)50-21-15-22-51(44-50)83-64-30-9-4-23-53(64)54-24-5-10-31-65(54)83/h1-45H
InChIKeyOAXWVYUFVRHPQP-UHFFFAOYSA-N
XLogP20.65
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001128.33
LogP ≤ 520.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 138654329) is 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)nc3ccc(-c4cccc(-c5cccc6c5sc5c6ccc6c5c5ccccc5n6-c5nccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)cc23)cc1.
What is the InChIKey of 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is OAXWVYUFVRHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N7OS/c1-2-17-46(18-3-1)73-61-45-48(35-38-63(61)81-78(82-73)85-66-32-11-6-26-59(66)71-68(85)39-36-56-55-25-8-13-34-70(55)86-74(56)71)47-19-14-20-49(43-47)52-28-16-29-57-58-37-40-69-72(76(58)87-75(52)57)60-27-7-12-33-67(60)84(69)77-79-42-41-62(80-77)50-21-15-22-51(44-50)83-64-30-9-4-23-53(64)54-24-5-10-31-65(54)83/h1-45H.
What are the key properties of 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1128.33 g/mol, XLogP of 20.65, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazol-11-yl]phenyl]-4-phenylquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138654329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).