(9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine

C55H39N3 — CID 145167283

About (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine

(9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine (PubChem CID 145167283) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine.

Molecular Properties

• Compound Name: (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine
• PubChem CID: 145167283
• Molecular Formula: C55H39N3
• Molecular Weight: 741.94 g/mol
• Exact Mass: 741.31
• IUPAC Name: (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine
• SMILES: NC1CC=CC2=C1/C(=C\Cc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc43)cc1)c1ccccc12
• InChI: InChI=1S/C55H39N3/c56-49-19-10-18-45-42-15-6-7-16-43(42)46(54(45)49)29-23-35-21-27-40(28-22-35)57-50-20-9-8-17-44(50)47-33-37(25-30-51(47)57)38-26-31-52-48(34-38)55-41-14-5-4-11-36(41)24-32-53(55)58(52)39-12-2-1-3-13-39/h1-18,20-22,24-34,49H,19,23,56H2/b46-29-
• InChIKey: RGBIEFAHQXQJDQ-BRSSQEHRSA-N
• XLogP: 13.38
• TPSA: 35.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.94
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine?

The IUPAC name of (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine (CID 145167283) is (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine.

What is the SMILES notation for (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine?

The canonical SMILES for (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine is NC1CC=CC2=C1/C(=C\Cc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc43)cc1)c1ccccc12.

What is the InChIKey of (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine?

The InChIKey is RGBIEFAHQXQJDQ-BRSSQEHRSA-N. The full InChI is InChI=1S/C55H39N3/c56-49-19-10-18-45-42-15-6-7-16-43(42)46(54(45)49)29-23-35-21-27-40(28-22-35)57-50-20-9-8-17-44(50)47-33-37(25-30-51(47)57)38-26-31-52-48(34-38)55-41-14-5-4-11-36(41)24-32-53(55)58(52)39-12-2-1-3-13-39/h1-18,20-22,24-34,49H,19,23,56H2/b46-29-.

What are the key properties of (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine?

(9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine has a molecular weight of 741.94 g/mol, XLogP of 13.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine is sourced from PubChem (CID 145167283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).