2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline

C74H60N2 — CID 170304602

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline (PubChem CID 170304602) has the molecular formula C74H60N2 and a molecular weight of 977.31 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
• PubChem CID: 170304602
• Molecular Formula: C74H60N2
• Molecular Weight: 977.31 g/mol
• Exact Mass: 976.48
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC9CC6C97C8)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)c32)cc1
• InChI: InChI=1S/C74H60N2/c1-3-17-49(18-4-1)57-28-14-19-50-20-15-30-63(71(50)57)61-26-8-11-33-67(61)75(56-24-13-21-52(43-56)58-29-16-31-64-62-27-9-12-34-68(62)76(72(58)64)54-22-5-2-6-23-54)55-38-35-48(36-39-55)51-37-40-60-59-25-7-10-32-65(59)74(66(60)44-51)69-42-47-41-53-45-70(74)73(53,69)46-47/h2,5-16,19-40,43-44,47,49,53,69-70H,1,3-4,17-18,41-42,45-46H2
• InChIKey: VLFFTPINGCCFEW-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.31
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline (CID 170304602) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline.

What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline is c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC9CC6C97C8)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)c32)cc1.

What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?

The InChIKey is VLFFTPINGCCFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N2/c1-3-17-49(18-4-1)57-28-14-19-50-20-15-30-63(71(50)57)61-26-8-11-33-67(61)75(56-24-13-21-52(43-56)58-29-16-31-64-62-27-9-12-34-68(62)76(72(58)64)54-22-5-2-6-23-54)55-38-35-48(36-39-55)51-37-40-60-59-25-7-10-32-65(59)74(66(60)44-51)69-42-47-41-53-45-70(74)73(53,69)46-47/h2,5-16,19-40,43-44,47,49,53,69-70H,1,3-4,17-18,41-42,45-46H2.

What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?

2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline has a molecular weight of 977.31 g/mol, XLogP of 19.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline is sourced from PubChem (CID 170304602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).