7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine

C45H31NO — CID 123837455

IUPAC7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine
SMILESCC1(C)c2c#cc3c(oc4ccccc43)c2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C45H31NO/c1-45(2)40-27-25-36(29-39(40)43-41(45)28-26-38-37-15-9-10-16-42(37)47-44(38)43)46(34-21-17-32(18-22-34)30-11-5-3-6-12-30)35-23-19-33(20-24-35)31-13-7-4-8-14-31/h3-25,27,29H,1-2H3
InChIKeyXEOIXRGQZQKCRA-UHFFFAOYSA-N
MW601.75 g/mol
LogP12.30
Rot. Bonds5

About 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine

7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine (PubChem CID 123837455) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine
PubChem CID123837455
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC Name7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine
SMILESCC1(C)c2c#cc3c(oc4ccccc43)c2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C45H31NO/c1-45(2)40-27-25-36(29-39(40)43-41(45)28-26-38-37-15-9-10-16-42(37)47-44(38)43)46(34-21-17-32(18-22-34)30-11-5-3-6-12-30)35-23-19-33(20-24-35)31-13-7-4-8-14-31/h3-25,27,29H,1-2H3
InChIKeyXEOIXRGQZQKCRA-UHFFFAOYSA-N
XLogP12.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-5-amine
CID 170406222
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
7,7-dimethyl-N-naphthalen-2-yl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-10-amine
CID 171401698
N-(7,7-dimethyl-5-phenylfluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 155088779
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284394
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine?
The IUPAC name of 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine (CID 123837455) is 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine.
What is the SMILES notation for 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine?
The canonical SMILES for 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine is CC1(C)c2c#cc3c(oc4ccccc43)c2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine?
The InChIKey is XEOIXRGQZQKCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-45(2)40-27-25-36(29-39(40)43-41(45)28-26-38-37-15-9-10-16-42(37)47-44(38)43)46(34-21-17-32(18-22-34)30-11-5-3-6-12-30)35-23-19-33(20-24-35)31-13-7-4-8-14-31/h3-25,27,29H,1-2H3.
What are the key properties of 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine?
7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine has a molecular weight of 601.75 g/mol, XLogP of 12.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,N-bis(4-phenylphenyl)-5,6-didehydrofluoreno[4,3-b][1]benzofuran-10-amine is sourced from PubChem (CID 123837455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).