N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine

C53H37NO — CID 176598489

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3c(-c5ccccc5)cccc3-c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H37NO/c1-53(2)48-26-13-12-22-43(48)44-29-27-36(32-49(44)53)54(50-31-35-17-6-7-18-38(35)40-19-10-11-23-45(40)50)37-28-30-46-41-20-8-9-21-42(41)47-25-14-24-39(34-15-4-3-5-16-34)52(47)55-51(46)33-37/h3-33H,1-2H3
InChIKeyNMTFGWFZTURBPC-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.88
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine (PubChem CID 176598489) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
PubChem CID176598489
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3c(-c5ccccc5)cccc3-c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H37NO/c1-53(2)48-26-13-12-22-43(48)44-29-27-36(32-49(44)53)54(50-31-35-17-6-7-18-38(35)40-19-10-11-23-45(40)50)37-28-30-46-41-20-8-9-21-42(41)47-25-14-24-39(34-15-4-3-5-16-34)52(47)55-51(46)33-37/h3-33H,1-2H3
InChIKeyNMTFGWFZTURBPC-UHFFFAOYSA-N
XLogP14.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-N,12-diphenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine
CID 171757409
N-(9,9-dimethylfluoren-2-yl)-23-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaen-11-amine
CID 171757672
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
CID 155181855
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
9,9-dimethyl-N-phenyl-N-[4-[10-[4-(N-phenylanilino)naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]phenyl]fluoren-2-amine
CID 168855769
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine (CID 176598489) is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3c(-c5ccccc5)cccc3-c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine?
The InChIKey is NMTFGWFZTURBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)48-26-13-12-22-43(48)44-29-27-36(32-49(44)53)54(50-31-35-17-6-7-18-38(35)40-19-10-11-23-45(40)50)37-28-30-46-41-20-8-9-21-42(41)47-25-14-24-39(34-15-4-3-5-16-34)52(47)55-51(46)33-37/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine has a molecular weight of 703.89 g/mol, XLogP of 14.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-16-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine is sourced from PubChem (CID 176598489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).