5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole

C63H45NO2 — CID 144911551

About 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole

5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole (PubChem CID 144911551) has the molecular formula C63H45NO2 and a molecular weight of 848.06 g/mol. Its IUPAC name is 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
• PubChem CID: 144911551
• Molecular Formula: C63H45NO2
• Molecular Weight: 848.06 g/mol
• Exact Mass: 847.35
• IUPAC Name: 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
• SMILES: COc1ccc(C=C(c2ccc(OC)cc2)c2ccccc2-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C63H45NO2/c1-65-47-34-29-42(30-35-47)39-56(43-31-36-48(66-2)37-32-43)49-21-9-10-22-50(49)57-41-61-62(54-25-12-11-23-51(54)57)55-26-14-16-28-60(55)64(61)46-33-38-53-52-24-13-15-27-58(52)63(59(53)40-46,44-17-5-3-6-18-44)45-19-7-4-8-20-45/h3-41H,1-2H3
• InChIKey: OMHXRKUAPZQMSE-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.06
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole?

The IUPAC name of 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole (CID 144911551) is 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole.

What is the SMILES notation for 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole?

The canonical SMILES for 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole is COc1ccc(C=C(c2ccc(OC)cc2)c2ccccc2-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole?

The InChIKey is OMHXRKUAPZQMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NO2/c1-65-47-34-29-42(30-35-47)39-56(43-31-36-48(66-2)37-32-43)49-21-9-10-22-50(49)57-41-61-62(54-25-12-11-23-51(54)57)55-26-14-16-28-60(55)64(61)46-33-38-53-52-24-13-15-27-58(52)63(59(53)40-46,44-17-5-3-6-18-44)45-19-7-4-8-20-45/h3-41H,1-2H3.

What are the key properties of 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole?

5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole has a molecular weight of 848.06 g/mol, XLogP of 15.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole is sourced from PubChem (CID 144911551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).