N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine

C49H36N2O — CID 147793781

IUPACN-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2N2C3=CC=CCC3c3c2c1cc1c3oc2ccccc21
InChIInChI=1S/C49H36N2O/c1-49(2)40-28-25-33(31-23-26-35(27-24-31)50(34-15-4-3-5-16-34)42-21-12-14-32-13-6-7-17-36(32)42)29-44(40)51-43-20-10-8-19-38(43)46-47(51)41(49)30-39-37-18-9-11-22-45(37)52-48(39)46/h3-18,20-30,38H,19H2,1-2H3
InChIKeyHKDVTSCQDUXNPQ-UHFFFAOYSA-N
MW668.84 g/mol
LogP13.59
Rot. Bonds4

About N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 147793781) has the molecular formula C49H36N2O and a molecular weight of 668.84 g/mol. Its IUPAC name is N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID147793781
Molecular FormulaC49H36N2O
Molecular Weight668.84 g/mol
Exact Mass668.28
IUPAC NameN-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2N2C3=CC=CCC3c3c2c1cc1c3oc2ccccc21
InChIInChI=1S/C49H36N2O/c1-49(2)40-28-25-33(31-23-26-35(27-24-31)50(34-15-4-3-5-16-34)42-21-12-14-32-13-6-7-17-36(32)42)29-44(40)51-43-20-10-8-19-38(43)46-47(51)41(49)30-39-37-18-9-11-22-45(37)52-48(39)46/h3-18,20-30,38H,19H2,1-2H3
InChIKeyHKDVTSCQDUXNPQ-UHFFFAOYSA-N
XLogP13.59
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170656832
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161150282
N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
CID 170656594
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157298586
N-[4-(2-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine
CID 154960964
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367

Frequently Asked Questions

What is the IUPAC name of N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 147793781) is N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2N2C3=CC=CCC3c3c2c1cc1c3oc2ccccc21.
What is the InChIKey of N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is HKDVTSCQDUXNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O/c1-49(2)40-28-25-33(31-23-26-35(27-24-31)50(34-15-4-3-5-16-34)42-21-12-14-32-13-6-7-17-36(32)42)29-44(40)51-43-20-10-8-19-38(43)46-47(51)41(49)30-39-37-18-9-11-22-45(37)52-48(39)46/h3-18,20-30,38H,19H2,1-2H3.
What are the key properties of N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 668.84 g/mol, XLogP of 13.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 147793781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).