N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C45H33NO — CID 156550129

IUPACN-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)cc3)cc2-c2oc3ccccc3c21
InChIInChI=1S/C45H33NO/c1-45(2)41-27-21-35(29-40(41)44-43(45)39-14-8-9-15-42(39)47-44)33-18-24-37(25-19-33)46(38-26-20-31-12-6-7-13-34(31)28-38)36-22-16-32(17-23-36)30-10-4-3-5-11-30/h3-29H,1-2H3
InChIKeySNDDOQFAOJGJSG-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.70
Rot. Bonds5

About N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 156550129) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID156550129
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC NameN-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)cc3)cc2-c2oc3ccccc3c21
InChIInChI=1S/C45H33NO/c1-45(2)41-27-21-35(29-40(41)44-43(45)39-14-8-9-15-42(39)47-44)33-18-24-37(25-19-33)46(38-26-20-31-12-6-7-13-34(31)28-38)36-22-16-32(17-23-36)30-10-4-3-5-11-30/h3-29H,1-2H3
InChIKeySNDDOQFAOJGJSG-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

N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156549318
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399243
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
7,7-dimethyl-N-naphthalen-2-yl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-10-amine
CID 171401698
N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 156549410
N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156549425
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170526059
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 170399249
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 156550129) is N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is CC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)cc3)cc2-c2oc3ccccc3c21.
What is the InChIKey of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is SNDDOQFAOJGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)41-27-21-35(29-40(41)44-43(45)39-14-8-9-15-42(39)47-44)33-18-24-37(25-19-33)46(38-26-20-31-12-6-7-13-34(31)28-38)36-22-16-32(17-23-36)30-10-4-3-5-11-30/h3-29H,1-2H3.
What are the key properties of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-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 N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156550129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).