12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine

C45H33NO — CID 134393055

IUPAC12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc3oc4ccccc4c3c21
InChIInChI=1S/C45H33NO/c1-45(2)38-22-11-9-20-36(38)42-39(29-41-43(44(42)45)37-21-10-12-23-40(37)47-41)46(34-26-24-32(25-27-34)30-14-5-3-6-15-30)35-19-13-18-33(28-35)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeyGOIYBWDOPHKHRI-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.70
Rot. Bonds5

About 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine

12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine (PubChem CID 134393055) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine.

Molecular Properties

Compound Name12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine
PubChem CID134393055
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC Name12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc3oc4ccccc4c3c21
InChIInChI=1S/C45H33NO/c1-45(2)38-22-11-9-20-36(38)42-39(29-41-43(44(42)45)37-21-10-12-23-40(37)47-41)46(34-26-24-32(25-27-34)30-14-5-3-6-15-30)35-19-13-18-33(28-35)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeyGOIYBWDOPHKHRI-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
14,14-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 134392874
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
CID 170722738
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine?
The IUPAC name of 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine (CID 134393055) is 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine.
What is the SMILES notation for 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine?
The canonical SMILES for 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc3oc4ccccc4c3c21.
What is the InChIKey of 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine?
The InChIKey is GOIYBWDOPHKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)38-22-11-9-20-36(38)42-39(29-41-43(44(42)45)37-21-10-12-23-40(37)47-41)46(34-26-24-32(25-27-34)30-14-5-3-6-15-30)35-19-13-18-33(28-35)31-16-7-4-8-17-31/h3-29H,1-2H3.
What are the key properties of 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine?
12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine has a molecular weight of 603.77 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine is sourced from PubChem (CID 134393055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).