9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine

C53H37NO — CID 170035949

IUPAC9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4oc4ccc6ccccc6c45)cc3)ccc21
InChIInChI=1S/C53H37NO/c1-53(2)48-17-8-7-14-45(48)47-33-42(29-30-49(47)53)54(40-25-20-35(21-26-40)39-19-18-34-10-3-4-12-38(34)32-39)41-27-22-37(23-28-41)44-15-9-16-46-51-43-13-6-5-11-36(43)24-31-50(51)55-52(44)46/h3-33H,1-2H3
InChIKeyKVXSBGROAATAPX-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine (PubChem CID 170035949) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
PubChem CID170035949
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4oc4ccc6ccccc6c45)cc3)ccc21
InChIInChI=1S/C53H37NO/c1-53(2)48-17-8-7-14-45(48)47-33-42(29-30-49(47)53)54(40-25-20-35(21-26-40)39-19-18-34-10-3-4-12-38(34)32-39)41-27-22-37(23-28-41)44-15-9-16-46-51-43-13-6-5-11-36(43)24-31-50(51)55-52(44)46/h3-33H,1-2H3
InChIKeyKVXSBGROAATAPX-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-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
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
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170675865
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-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine (CID 170035949) is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4oc4ccc6ccccc6c45)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine?
The InChIKey is KVXSBGROAATAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)48-17-8-7-14-45(48)47-33-42(29-30-49(47)53)54(40-25-20-35(21-26-40)39-19-18-34-10-3-4-12-38(34)32-39)41-27-22-37(23-28-41)44-15-9-16-46-51-43-13-6-5-11-36(43)24-31-50(51)55-52(44)46/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine?
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-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-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine is sourced from PubChem (CID 170035949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).