9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine

C53H37NO — CID 167143361

IUPAC9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c5c4)cc3)cc21
InChIInChI=1S/C53H37NO/c1-53(2)49-19-11-10-17-43(49)44-28-27-41(32-50(44)53)54(39-14-4-3-5-15-39)40-25-22-35(23-26-40)37-24-29-51-47(31-37)48-33-46(42-16-8-9-18-45(42)52(48)55-51)38-21-20-34-12-6-7-13-36(34)30-38/h3-33H,1-2H3
InChIKeyJGSGBHMJGKKPCR-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine (PubChem CID 167143361) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
PubChem CID167143361
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c5c4)cc3)cc21
InChIInChI=1S/C53H37NO/c1-53(2)49-19-11-10-17-43(49)44-28-27-41(32-50(44)53)54(39-14-4-3-5-15-39)40-25-22-35(23-26-40)37-24-29-51-47(31-37)48-33-46(42-16-8-9-18-45(42)52(48)55-51)38-21-20-34-12-6-7-13-36(34)30-38/h3-33H,1-2H3
InChIKeyJGSGBHMJGKKPCR-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155423705
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 157172121
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167403354
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252479
9,9-dimethyl-N-[4-[8-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167403290
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphtho[1,2-b][1]benzofuran-5-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160561791
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739
12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
CID 146647827
9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 160807654
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine (CID 167143361) is 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c5c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine?
The InChIKey is JGSGBHMJGKKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)49-19-11-10-17-43(49)44-28-27-41(32-50(44)53)54(39-14-4-3-5-15-39)40-25-22-35(23-26-40)37-24-29-51-47(31-37)48-33-46(42-16-8-9-18-45(42)52(48)55-51)38-21-20-34-12-6-7-13-36(34)30-38/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 167143361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).