9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine

C61H41NO — CID 167121573

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5c6ccc7oc8ccccc8c7c6c6ccccc6c45)c3)cc21
InChIInChI=1S/C61H41NO/c1-61(2)54-26-9-7-19-47(54)48-33-32-43(37-55(48)61)62(41-30-28-39(29-31-41)45-23-12-15-38-14-3-4-18-44(38)45)42-17-11-16-40(36-42)46-24-13-25-50-52-34-35-57-60(53-22-8-10-27-56(53)63-57)59(52)51-21-6-5-20-49(51)58(46)50/h3-37H,1-2H3
InChIKeyPFBAAZQKECKIDT-UHFFFAOYSA-N
MW804.01 g/mol
LogP17.31
Rot. Bonds5

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine (PubChem CID 167121573) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine
PubChem CID167121573
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5c6ccc7oc8ccccc8c7c6c6ccccc6c45)c3)cc21
InChIInChI=1S/C61H41NO/c1-61(2)54-26-9-7-19-47(54)48-33-32-43(37-55(48)61)62(41-30-28-39(29-31-41)45-23-12-15-38-14-3-4-18-44(38)45)42-17-11-16-40(36-42)46-24-13-25-50-52-34-35-57-60(53-22-8-10-27-56(53)63-57)59(52)51-21-6-5-20-49(51)58(46)50/h3-37H,1-2H3
InChIKeyPFBAAZQKECKIDT-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[3-(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-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 170667736
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)fluoren-2-amine
CID 170035031
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(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-6-yl)phenyl]fluoren-1-amine
CID 170667882
9,9-dimethyl-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-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523
N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 170140187
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
9,9-dimethyl-N-[4-(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]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
9,9-dimethyl-N-[4-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122599263
9,9-dimethyl-N-[4-(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]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine (CID 167121573) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5c6ccc7oc8ccccc8c7c6c6ccccc6c45)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine?
The InChIKey is PFBAAZQKECKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-61(2)54-26-9-7-19-47(54)48-33-32-43(37-55(48)61)62(41-30-28-39(29-31-41)45-23-12-15-38-14-3-4-18-44(38)45)42-17-11-16-40(36-42)46-24-13-25-50-52-34-35-57-60(53-22-8-10-27-56(53)63-57)59(52)51-21-6-5-20-49(51)58(46)50/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine has a molecular weight of 804.01 g/mol, XLogP of 17.31, 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-1-ylphenyl)-N-[3-(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-6-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167121573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).