15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine

C52H36N2O — CID 172504380

IUPAC15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine
SMILESCC1(C)c2cc3ccc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4c3cc2-c2cc3oc(-c4ccccc4)nc3cc21
InChIInChI=1S/C52H36N2O/c1-52(2)47-28-39-18-17-36-22-26-42(29-43(36)44(39)30-45(47)46-31-50-49(32-48(46)52)53-51(55-50)37-14-7-4-8-15-37)54(41-25-21-34-13-9-10-16-38(34)27-41)40-23-19-35(20-24-40)33-11-5-3-6-12-33/h3-32H,1-2H3
InChIKeyXAUPWXVSOKVIQH-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.40
Rot. Bonds5

About 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine

15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine (PubChem CID 172504380) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine.

Molecular Properties

Compound Name15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine
PubChem CID172504380
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine
SMILESCC1(C)c2cc3ccc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4c3cc2-c2cc3oc(-c4ccccc4)nc3cc21
InChIInChI=1S/C52H36N2O/c1-52(2)47-28-39-18-17-36-22-26-42(29-43(36)44(39)30-45(47)46-31-50-49(32-48(46)52)53-51(55-50)37-14-7-4-8-15-37)54(41-25-21-34-13-9-10-16-38(34)27-41)40-23-19-35(20-24-40)33-11-5-3-6-12-33/h3-32H,1-2H3
InChIKeyXAUPWXVSOKVIQH-UHFFFAOYSA-N
XLogP14.40
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
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CID 168743074
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128961
9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 165067412
6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
CID 164939320
3-N-(9,9-dimethyl-2-phenylindeno[1,2-f][1,3]benzoxazol-6-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 172504447
12,12-dimethyl-N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-20-oxa-18-azahexacyclo[11.11.0.02,11.04,9.014,22.017,21]tetracosa-1(13),2(11),3,5,7,9,14(22),15,17(21),18,23-undecaen-6-amine
CID 172504438
12,12-dimethyl-N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-20-oxa-18-azahexacyclo[11.11.0.02,11.04,9.014,22.017,21]tetracosa-1(13),2(11),3,5,7,9,14(22),15,17(21),18,23-undecaen-7-amine
CID 172504222
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine
CID 172504367
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127727

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine?
The IUPAC name of 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine (CID 172504380) is 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine.
What is the SMILES notation for 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine?
The canonical SMILES for 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine is CC1(C)c2cc3ccc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)cc4c3cc2-c2cc3oc(-c4ccccc4)nc3cc21.
What is the InChIKey of 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine?
The InChIKey is XAUPWXVSOKVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-52(2)47-28-39-18-17-36-22-26-42(29-43(36)44(39)30-45(47)46-31-50-49(32-48(46)52)53-51(55-50)37-14-7-4-8-15-37)54(41-25-21-34-13-9-10-16-38(34)27-41)40-23-19-35(20-24-40)33-11-5-3-6-12-33/h3-32H,1-2H3.
What are the key properties of 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine?
15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine has a molecular weight of 704.87 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine is sourced from PubChem (CID 172504380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).