9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine

C55H38N2O — CID 153305759

IUPAC9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6ccc7oc8ccccc8n5-c7c64)cc3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)45-17-7-6-15-43(45)53-46(55)18-11-20-49(53)56(40-28-22-36(23-29-40)35-12-4-3-5-13-35)41-30-24-37(25-31-41)39-26-32-47-44(34-39)42-16-10-14-38-27-33-51-54(52(38)42)57(47)48-19-8-9-21-50(48)58-51/h3-34H,1-2H3
InChIKeyPRQWNLQKNDPLOK-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.23
Rot. Bonds5

About 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine

9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 153305759) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID153305759
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6ccc7oc8ccccc8n5-c7c64)cc3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)45-17-7-6-15-43(45)53-46(55)18-11-20-49(53)56(40-28-22-36(23-29-40)35-12-4-3-5-13-35)41-30-24-37(25-31-41)39-26-32-47-44(34-39)42-16-10-14-38-27-33-51-54(52(38)42)57(47)48-19-8-9-21-50(48)58-51/h3-34H,1-2H3
InChIKeyPRQWNLQKNDPLOK-UHFFFAOYSA-N
XLogP15.23
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine (CID 153305759) is 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6ccc7oc8ccccc8n5-c7c64)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is PRQWNLQKNDPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)45-17-7-6-15-43(45)53-46(55)18-11-20-49(53)56(40-28-22-36(23-29-40)35-12-4-3-5-13-35)41-30-24-37(25-31-41)39-26-32-47-44(34-39)42-16-10-14-38-27-33-51-54(52(38)42)57(47)48-19-8-9-21-50(48)58-51/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine?
9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 742.92 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 153305759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).