N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine

C61H42N2O — CID 118086682

About N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine

N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine (PubChem CID 118086682) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
• PubChem CID: 118086682
• Molecular Formula: C61H42N2O
• Molecular Weight: 819.02 g/mol
• Exact Mass: 818.33
• IUPAC Name: N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4)c3)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C61H42N2O/c1-61(2)53-20-8-5-17-48(53)49-33-32-47(38-54(49)61)62(46-31-29-39-13-3-4-14-42(39)36-46)45-16-11-15-43(35-45)40-25-27-41(28-26-40)44-30-34-56-52(37-44)50-18-6-9-21-55(50)63(56)57-22-12-24-59-60(57)51-19-7-10-23-58(51)64-59/h3-38H,1-2H3
• InChIKey: CSUWUVFRHSXWMR-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?

The IUPAC name of N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine (CID 118086682) is N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine.

What is the SMILES notation for N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?

The canonical SMILES for N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4)c3)c3ccc4ccccc4c3)cc21.

What is the InChIKey of N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?

The InChIKey is CSUWUVFRHSXWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)53-20-8-5-17-48(53)49-33-32-47(38-54(49)61)62(46-31-29-39-13-3-4-14-42(39)36-46)45-16-11-15-43(35-45)40-25-27-41(28-26-40)44-30-34-56-52(37-44)50-18-6-9-21-55(50)63(56)57-22-12-24-59-60(57)51-19-7-10-23-58(51)64-59/h3-38H,1-2H3.

What are the key properties of N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?

N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine has a molecular weight of 819.02 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine is sourced from PubChem (CID 118086682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).