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

C51H37NO — CID 171402122

IUPAC7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
SMILESCC1(C)c2ccccc2-c2c1cc1oc3ccc(-c4ccccc4)cc3c1c2N(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H37NO/c1-51(2)44-21-13-12-20-42(44)48-45(51)33-47-49(43-32-39(28-31-46(43)53-47)35-16-8-4-9-17-35)50(48)52(40-18-10-5-11-19-40)41-29-26-38(27-30-41)37-24-22-36(23-25-37)34-14-6-3-7-15-34/h3-33H,1-2H3
InChIKeyWRRTVFJTNMPKSQ-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

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

7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine (PubChem CID 171402122) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
PubChem CID171402122
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC Name7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
SMILESCC1(C)c2ccccc2-c2c1cc1oc3ccc(-c4ccccc4)cc3c1c2N(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H37NO/c1-51(2)44-21-13-12-20-42(44)48-45(51)33-47-49(43-32-39(28-31-46(43)53-47)35-16-8-4-9-17-35)50(48)52(40-18-10-5-11-19-40)41-29-26-38(27-30-41)37-24-22-36(23-25-37)34-14-6-3-7-15-34/h3-33H,1-2H3
InChIKeyWRRTVFJTNMPKSQ-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401773
12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine
CID 134393055
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 171402240
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
The IUPAC name of 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine (CID 171402122) is 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine.
What is the SMILES notation for 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
The canonical SMILES for 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine is CC1(C)c2ccccc2-c2c1cc1oc3ccc(-c4ccccc4)cc3c1c2N(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
The InChIKey is WRRTVFJTNMPKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)44-21-13-12-20-42(44)48-45(51)33-47-49(43-32-39(28-31-46(43)53-47)35-16-8-4-9-17-35)50(48)52(40-18-10-5-11-19-40)41-29-26-38(27-30-41)37-24-22-36(23-25-37)34-14-6-3-7-15-34/h3-33H,1-2H3.
What are the key properties of 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine is sourced from PubChem (CID 171402122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).