N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane

C99H75IN2O2 — CID 158252661

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane (PubChem CID 158252661) has the molecular formula C99H75IN2O2 and a molecular weight of 1451.60 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane
• PubChem CID: 158252661
• Molecular Formula: C99H75IN2O2
• Molecular Weight: 1451.60 g/mol
• Exact Mass: 1450.49
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane
• SMILES: C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4ccc5c6ccccc6oc5c34)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.Ic1cccc2ccc3c4ccccc4oc3c12
• InChI: InChI=1S/C49H35NO.C33H27N.C16H9IO.CH4/c1-49(2)43-16-8-6-14-39(43)40-30-28-38(31-44(40)49)50(37-26-23-35(24-27-37)34-21-19-33(20-22-34)32-11-4-3-5-12-32)45-17-10-13-36-25-29-42-41-15-7-9-18-46(41)51-48(42)47(36)45;1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)34-27-18-16-26(17-19-27)25-14-12-24(13-15-25)23-8-4-3-5-9-23;17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13;/h3-31H,1-2H3;3-22,34H,1-2H3;1-9H;1H4
• InChIKey: GGXDTZMMQRIBND-UHFFFAOYSA-N
• XLogP: 28.90
• TPSA: 41.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1451.60
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane (CID 158252661) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane is C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4ccc5c6ccccc6oc5c34)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.Ic1cccc2ccc3c4ccccc4oc3c12.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane?

The InChIKey is GGXDTZMMQRIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO.C33H27N.C16H9IO.CH4/c1-49(2)43-16-8-6-14-39(43)40-30-28-38(31-44(40)49)50(37-26-23-35(24-27-37)34-21-19-33(20-22-34)32-11-4-3-5-12-32)45-17-10-13-36-25-29-42-41-15-7-9-18-46(41)51-48(42)47(36)45;1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)34-27-18-16-26(17-19-27)25-14-12-24(13-15-25)23-8-4-3-5-9-23;17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13;/h3-31H,1-2H3;3-22,34H,1-2H3;1-9H;1H4.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane?

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane has a molecular weight of 1451.60 g/mol, XLogP of 28.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane is sourced from PubChem (CID 158252661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).