9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine

C53H37NO — CID 170035951

IUPAC9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C53H37NO/c1-53(2)47-17-9-7-16-44(47)45-33-41(27-28-48(45)53)54(49-18-10-8-14-42(49)39-20-19-34-11-3-4-13-37(34)31-39)40-25-21-35(22-26-40)38-24-29-50-46(32-38)52-43-15-6-5-12-36(43)23-30-51(52)55-50/h3-33H,1-2H3
InChIKeyLHQDZMJRICXFIU-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine

9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine (PubChem CID 170035951) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
PubChem CID170035951
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C53H37NO/c1-53(2)47-17-9-7-16-44(47)45-33-41(27-28-48(45)53)54(49-18-10-8-14-42(49)39-20-19-34-11-3-4-13-37(34)31-39)40-25-21-35(22-26-40)38-24-29-50-46(32-38)52-43-15-6-5-12-36(43)23-30-51(52)55-50/h3-33H,1-2H3
InChIKeyLHQDZMJRICXFIU-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-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 159656584
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
CID 170035949
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]fluoren-2-amine
CID 167121566
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183210
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 167128874
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine (CID 170035951) is 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
The InChIKey is LHQDZMJRICXFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)47-17-9-7-16-44(47)45-33-41(27-28-48(45)53)54(49-18-10-8-14-42(49)39-20-19-34-11-3-4-13-37(34)31-39)40-25-21-35(22-26-40)38-24-29-50-46(32-38)52-43-15-6-5-12-36(43)23-30-51(52)55-50/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-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-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine is sourced from PubChem (CID 170035951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).