6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine

C73H50N2O — CID 129311250

About 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine

6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 129311250) has the molecular formula C73H50N2O and a molecular weight of 971.22 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
• PubChem CID: 129311250
• Molecular Formula: C73H50N2O
• Molecular Weight: 971.22 g/mol
• Exact Mass: 970.39
• IUPAC Name: 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
• SMILES: C1=CCC(c2cccc3c2oc2cccc(N(c4cccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c23)C=C1
• InChI: InChI=1S/C73H50N2O/c1-5-21-49(22-6-1)59-35-19-36-63-71-69(39-20-40-70(71)76-72(59)63)74(58-42-43-61-60-33-13-15-37-65(60)73(66(61)48-58,54-26-7-2-8-27-54)55-28-9-3-10-29-55)57-32-18-25-52(46-57)50-23-17-24-51(45-50)53-41-44-68-64(47-53)62-34-14-16-38-67(62)75(68)56-30-11-4-12-31-56/h1-21,23-49H,22H2
• InChIKey: ZEUHCNYFZVTQRF-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.22
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine?

The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine (CID 129311250) is 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine.

What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine?

The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine is C1=CCC(c2cccc3c2oc2cccc(N(c4cccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c23)C=C1.

What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine?

The InChIKey is ZEUHCNYFZVTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2O/c1-5-21-49(22-6-1)59-35-19-36-63-71-69(39-20-40-70(71)76-72(59)63)74(58-42-43-61-60-33-13-15-37-65(60)73(66(61)48-58,54-26-7-2-8-27-54)55-28-9-3-10-29-55)57-32-18-25-52(46-57)50-23-17-24-51(45-50)53-41-44-68-64(47-53)62-34-14-16-38-67(62)75(68)56-30-11-4-12-31-56/h1-21,23-49H,22H2.

What are the key properties of 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine?

6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 971.22 g/mol, XLogP of 19.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 129311250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).