1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene

C51H37N — CID 166803731

IUPAC1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C1(C)c2ccccc2-c2cccc(c21)N3c1ccc(-c2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C51H37N/c1-50(2)43-21-11-9-18-39(43)42-30-31-46-49(48(42)50)51(3)44-22-12-10-19-40(44)41-20-13-23-45(47(41)51)52(46)34-26-24-33(25-27-34)36-29-28-35(32-14-5-4-6-15-32)37-16-7-8-17-38(36)37/h4-31H,1-3H3
InChIKeyOCQFMQYWTMYYMZ-UHFFFAOYSA-N
MW663.86 g/mol
LogP13.60
Rot. Bonds3

About 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene

1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene (PubChem CID 166803731) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene.

Molecular Properties

Compound Name1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene
PubChem CID166803731
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C1(C)c2ccccc2-c2cccc(c21)N3c1ccc(-c2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C51H37N/c1-50(2)43-21-11-9-18-39(43)42-30-31-46-49(48(42)50)51(3)44-22-12-10-19-40(44)41-20-13-23-45(47(41)51)52(46)34-26-24-33(25-27-34)36-29-28-35(32-14-5-4-6-15-32)37-16-7-8-17-38(36)37/h4-31H,1-3H3
InChIKeyOCQFMQYWTMYYMZ-UHFFFAOYSA-N
XLogP13.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene with MolForge

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Related Compounds

15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
CID 139568482
17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-(4-naphthalen-2-ylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 166803687
1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine
CID 155333450
13-(3-dibenzothiophen-1-ylphenyl)-17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 139568110
2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465153
8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
CID 164829320
12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
16,16-dimethyl-5-(4-phenylnaphthalen-1-yl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 123876471
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene?
The IUPAC name of 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene (CID 166803731) is 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene.
What is the SMILES notation for 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene?
The canonical SMILES for 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene is CC1(C)c2ccccc2-c2ccc3c(c21)C1(C)c2ccccc2-c2cccc(c21)N3c1ccc(-c2ccc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene?
The InChIKey is OCQFMQYWTMYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-50(2)43-21-11-9-18-39(43)42-30-31-46-49(48(42)50)51(3)44-22-12-10-19-40(44)41-20-13-23-45(47(41)51)52(46)34-26-24-33(25-27-34)36-29-28-35(32-14-5-4-6-15-32)37-16-7-8-17-38(36)37/h4-31H,1-3H3.
What are the key properties of 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene?
1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene has a molecular weight of 663.86 g/mol, XLogP of 13.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene is sourced from PubChem (CID 166803731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).