N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine

C67H47N3 — CID 138710344

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (PubChem CID 138710344) has the molecular formula C67H47N3 and a molecular weight of 894.13 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
• PubChem CID: 138710344
• Molecular Formula: C67H47N3
• Molecular Weight: 894.13 g/mol
• Exact Mass: 893.38
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C67H47N3/c1-67(2)60-42-48(47-32-40-66-59(41-47)58-22-10-13-25-65(58)69(66)49-17-4-3-5-18-49)31-38-54(60)55-39-37-52(43-61(55)67)68(62-26-14-16-46-15-6-7-19-53(46)62)50-33-27-44(28-34-50)45-29-35-51(36-30-45)70-63-23-11-8-20-56(63)57-21-9-12-24-64(57)70/h3-43H,1-2H3
• InChIKey: ZPTXNLPGPMUHPK-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.13
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (CID 138710344) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?

The InChIKey is ZPTXNLPGPMUHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3/c1-67(2)60-42-48(47-32-40-66-59(41-47)58-22-10-13-25-65(58)69(66)49-17-4-3-5-18-49)31-38-54(60)55-39-37-52(43-61(55)67)68(62-26-14-16-46-15-6-7-19-53(46)62)50-33-27-44(28-34-50)45-29-35-51(36-30-45)70-63-23-11-8-20-56(63)57-21-9-12-24-64(57)70/h3-43H,1-2H3.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine has a molecular weight of 894.13 g/mol, XLogP of 18.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is sourced from PubChem (CID 138710344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).