(9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine

C59H39N3 — CID 145167562

About (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine

(9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine (PubChem CID 145167562) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine.

Molecular Properties

• Compound Name: (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine
• PubChem CID: 145167562
• Molecular Formula: C59H39N3
• Molecular Weight: 789.98 g/mol
• Exact Mass: 789.31
• IUPAC Name: (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine
• SMILES: Nc1cccc2c1/C(=C\Cc1ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc8ccccc8c6n7-c6ccccc6)ccc54)ccc3c1)c1ccccc1-2
• InChI: InChI=1S/C59H39N3/c60-54-19-10-18-49-46-15-6-7-16-47(46)50(58(49)54)29-22-37-21-23-40-34-44(28-24-39(40)33-37)61-55-20-9-8-17-48(55)52-35-41(26-31-56(52)61)42-27-32-57-53(36-42)51-30-25-38-11-4-5-14-45(38)59(51)62(57)43-12-2-1-3-13-43/h1-21,23-36H,22,60H2/b50-29-
• InChIKey: BCDOGKWCULBWKS-UPOMZQMOSA-N
• XLogP: 15.09
• TPSA: 35.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.98
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine?

The IUPAC name of (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine (CID 145167562) is (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine.

What is the SMILES notation for (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine?

The canonical SMILES for (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine is Nc1cccc2c1/C(=C\Cc1ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc8ccccc8c6n7-c6ccccc6)ccc54)ccc3c1)c1ccccc1-2.

What is the InChIKey of (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine?

The InChIKey is BCDOGKWCULBWKS-UPOMZQMOSA-N. The full InChI is InChI=1S/C59H39N3/c60-54-19-10-18-49-46-15-6-7-16-47(46)50(58(49)54)29-22-37-21-23-40-34-44(28-24-39(40)33-37)61-55-20-9-8-17-48(55)52-35-41(26-31-56(52)61)42-27-32-57-53(36-42)51-30-25-38-11-4-5-14-45(38)59(51)62(57)43-12-2-1-3-13-43/h1-21,23-36H,22,60H2/b50-29-.

What are the key properties of (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine?

(9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine has a molecular weight of 789.98 g/mol, XLogP of 15.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine is sourced from PubChem (CID 145167562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).