3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole

C100H64N4 — CID 159264413

About 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 159264413) has the molecular formula C100H64N4 and a molecular weight of 1321.64 g/mol. Its IUPAC name is 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 159264413
• Molecular Formula: C100H64N4
• Molecular Weight: 1321.64 g/mol
• Exact Mass: 1320.51
• IUPAC Name: 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)ccc32)cc1
• InChI: InChI=1S/2C50H32N2/c1-2-13-39(14-3-1)51-47-19-8-6-16-43(47)45-31-36(24-27-49(45)51)37-25-28-50-46(32-37)44-17-7-9-20-48(44)52(50)40-26-23-34-29-38(22-21-35(34)30-40)42-18-10-12-33-11-4-5-15-41(33)42;1-2-14-38(15-3-1)51-46-20-10-8-18-42(46)44-31-35(24-27-49(44)51)36-25-28-50-45(32-36)43-19-9-11-21-47(43)52(50)48-29-26-39(40-16-6-7-17-41(40)48)37-23-22-33-12-4-5-13-34(33)30-37/h2*1-32H
• InChIKey: KWXNCMGCIZOZFI-UHFFFAOYSA-N
• XLogP: 27.04
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1321.64
LogP ≤ 5	27.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 159264413) is 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)ccc32)cc1.

What is the InChIKey of 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is KWXNCMGCIZOZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N2/c1-2-13-39(14-3-1)51-47-19-8-6-16-43(47)45-31-36(24-27-49(45)51)37-25-28-50-46(32-37)44-17-7-9-20-48(44)52(50)40-26-23-34-29-38(22-21-35(34)30-40)42-18-10-12-33-11-4-5-15-41(33)42;1-2-14-38(15-3-1)51-46-20-10-8-18-42(46)44-31-35(24-27-49(44)51)36-25-28-50-45(32-36)43-19-9-11-21-47(43)52(50)48-29-26-39(40-16-6-7-17-41(40)48)37-23-22-33-12-4-5-13-34(33)30-37/h2*1-32H.

What are the key properties of 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole?

3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1321.64 g/mol, XLogP of 27.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 159264413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).