N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine

C62H63NO — CID 168804802

About N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine

N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 168804802) has the molecular formula C62H63NO and a molecular weight of 838.19 g/mol. Its IUPAC name is N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

• Compound Name: N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
• PubChem CID: 168804802
• Molecular Formula: C62H63NO
• Molecular Weight: 838.19 g/mol
• Exact Mass: 837.49
• IUPAC Name: N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
• SMILES: C1=CCCC(C2=CCCC3=C2OC2C=CC(C4C=CC(N(C5=CC=C(C6=CC7=C(C=CCC7)C(C7C=CC=CC7)C6)CC5)C5C=CC(C6CC=CC7=C6C=CCC7)=CC5)=CC4)=CC32)=C1
• InChI: InChI=1S/C62H63NO/c1-3-13-45(14-4-1)57-23-12-24-58-60-40-48(31-38-61(60)64-62(57)58)42-25-32-51(33-26-42)63(53-36-29-47(30-37-53)55-22-11-19-44-17-7-9-20-54(44)55)52-34-27-43(28-35-52)50-39-49-18-8-10-21-56(49)59(41-50)46-15-5-2-6-16-46/h1-3,5-6,9-11,13,15,19-21,23,25,27,29-34,36,38-40,42,46,53,55,59-61H,4,7-8,12,14,16-18,22,24,26,28,35,37,41H2
• InChIKey: APCGIVHPUYUSBB-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.19
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

The IUPAC name of N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine (CID 168804802) is N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine.

What is the SMILES notation for N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

The canonical SMILES for N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine is C1=CCCC(C2=CCCC3=C2OC2C=CC(C4C=CC(N(C5=CC=C(C6=CC7=C(C=CCC7)C(C7C=CC=CC7)C6)CC5)C5C=CC(C6CC=CC7=C6C=CCC7)=CC5)=CC4)=CC32)=C1.

What is the InChIKey of N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

The InChIKey is APCGIVHPUYUSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H63NO/c1-3-13-45(14-4-1)57-23-12-24-58-60-40-48(31-38-61(60)64-62(57)58)42-25-32-51(33-26-42)63(53-36-29-47(30-37-53)55-22-11-19-44-17-7-9-20-54(44)55)52-34-27-43(28-35-52)50-39-49-18-8-10-21-56(49)59(41-50)46-15-5-2-6-16-46/h1-3,5-6,9-11,13,15,19-21,23,25,27,29-34,36,38-40,42,46,53,55,59-61H,4,7-8,12,14,16-18,22,24,26,28,35,37,41H2.

What are the key properties of N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 838.19 g/mol, XLogP of 15.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-cyclohexa-1,3-dien-1-yl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(4-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydronaphthalen-2-yl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 168804802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).