9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole

C80H52N2S — CID 59372164

About 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole

9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole (PubChem CID 59372164) has the molecular formula C80H52N2S and a molecular weight of 1073.38 g/mol. Its IUPAC name is 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole
• PubChem CID: 59372164
• Molecular Formula: C80H52N2S
• Molecular Weight: 1073.38 g/mol
• Exact Mass: 1072.39
• IUPAC Name: 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(Sc4ccc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c6ccccc56)cc4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C80H52N2S/c1-5-17-53(18-6-1)59-33-43-77-71(49-59)72-50-60(54-19-7-2-8-20-54)34-44-78(72)81(77)75-47-41-65(67-25-13-15-27-69(67)75)57-29-37-63(38-30-57)83-64-39-31-58(32-40-64)66-42-48-76(70-28-16-14-26-68(66)70)82-79-45-35-61(55-21-9-3-10-22-55)51-73(79)74-52-62(36-46-80(74)82)56-23-11-4-12-24-56/h1-52H
• InChIKey: ZUDOOGLKUVRQGC-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.38
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole (CID 59372164) is 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(Sc4ccc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c6ccccc56)cc4)cc3)c3ccccc23)cc1.

What is the InChIKey of 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole?

The InChIKey is ZUDOOGLKUVRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2S/c1-5-17-53(18-6-1)59-33-43-77-71(49-59)72-50-60(54-19-7-2-8-20-54)34-44-78(72)81(77)75-47-41-65(67-25-13-15-27-69(67)75)57-29-37-63(38-30-57)83-64-39-31-58(32-40-64)66-42-48-76(70-28-16-14-26-68(66)70)82-79-45-35-61(55-21-9-3-10-22-55)51-73(79)74-52-62(36-46-80(74)82)56-23-11-4-12-24-56/h1-52H.

What are the key properties of 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole?

9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole has a molecular weight of 1073.38 g/mol, XLogP of 22.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]sulfanylphenyl]naphthalen-1-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 59372164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).