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

C61H41NO — CID 167121566

IUPAC9,9-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3ccc4c5ccccc5c5c(ccc6oc7ccccc7c65)c4c3)cc21
InChIInChI=1S/C61H41NO/c1-61(2)54-20-10-7-17-48(54)49-32-30-44(37-55(49)61)62(43-28-25-39(26-29-43)41-24-23-38-13-3-4-14-40(38)35-41)56-21-11-8-15-45(56)42-27-31-47-46-16-5-6-18-50(46)59-51(53(47)36-42)33-34-58-60(59)52-19-9-12-22-57(52)63-58/h3-37H,1-2H3
InChIKeyDOWWTOMNOXKAQM-UHFFFAOYSA-N
MW804.01 g/mol
LogP17.31
Rot. Bonds5

About 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

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 (PubChem CID 167121566) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID167121566
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC Name9,9-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3ccc4c5ccccc5c5c(ccc6oc7ccccc7c65)c4c3)cc21
InChIInChI=1S/C61H41NO/c1-61(2)54-20-10-7-17-48(54)49-32-30-44(37-55(49)61)62(43-28-25-39(26-29-43)41-24-23-38-13-3-4-14-40(38)35-41)56-21-11-8-15-45(56)42-27-31-47-46-16-5-6-18-50(46)59-51(53(47)36-42)33-34-58-60(59)52-19-9-12-22-57(52)63-58/h3-37H,1-2H3
InChIKeyDOWWTOMNOXKAQM-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-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 with MolForge

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Related Compounds

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-4-yl)phenyl]-N-phenylfluoren-2-amine
CID 167121363
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-(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
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-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 164764763
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-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-amine
CID 167121292
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 177281319
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 176583116
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)fluoren-2-amine
CID 170035031
N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169293004

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3ccc4c5ccccc5c5c(ccc6oc7ccccc7c65)c4c3)cc21.
What is the InChIKey of 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?
The InChIKey is DOWWTOMNOXKAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-61(2)54-20-10-7-17-48(54)49-32-30-44(37-55(49)61)62(43-28-25-39(26-29-43)41-24-23-38-13-3-4-14-40(38)35-41)56-21-11-8-15-45(56)42-27-31-47-46-16-5-6-18-50(46)59-51(53(47)36-42)33-34-58-60(59)52-19-9-12-22-57(52)63-58/h3-37H,1-2H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 167121566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).